 Entering Gaussian System, Link 0=g16
 Input=22_phenylethanamine_conformer02_STD_wB97XD_def2SVPD.in
 Output=22_phenylethanamine_conformer02_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-11854.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     11859.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=22_phenylethanamine_conformer02_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "22_phenylethanamine_conformer02_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.772654000000      1.254975000000      0.322747000000
  C                                                 0.398664000000      1.096214000000      0.195259000000
  C                                                -0.142652000000     -0.142756000000     -0.146542000000
  C                                                 0.720678000000     -1.214760000000     -0.360157000000
  C                                                 2.095925000000     -1.060117000000     -0.230036000000
  C                                                 2.626396000000      0.177369000000      0.112866000000
  C                                                -1.641706000000     -0.341888000000     -0.237223000000
  N                                                -2.275754000000      0.831618000000     -0.845752000000
  C                                                -2.248939000000     -0.563784000000      1.149323000000
  H                                                -3.279530000000      0.704813000000     -0.898651000000
  H                                                -1.809734000000     -1.256656000000     -0.824262000000
  H                                                -2.083473000000      0.313962000000      1.775341000000
  H                                                -1.795695000000     -1.428876000000      1.633948000000
  H                                                -3.325560000000     -0.738248000000      1.075630000000
  H                                                 0.311141000000     -2.180305000000     -0.634440000000
  H                                                 2.752158000000     -1.903833000000     -0.402347000000
  H                                                 3.697081000000      0.302924000000      0.210779000000
  H                                                 2.179271000000      2.223269000000      0.586598000000
  H                                                -0.268537000000      1.933636000000      0.348722000000
  H                                                -1.932969000000      0.976467000000     -1.788479000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          14          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           2           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   4.5500000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.772654    1.254975    0.322747
      2          6           0        0.398664    1.096214    0.195259
      3          6           0       -0.142652   -0.142756   -0.146542
      4          6           0        0.720678   -1.214760   -0.360157
      5          6           0        2.095925   -1.060117   -0.230036
      6          6           0        2.626396    0.177369    0.112866
      7          6           0       -1.641706   -0.341888   -0.237223
      8          7           0       -2.275754    0.831618   -0.845752
      9          6           0       -2.248939   -0.563784    1.149323
     10          1           0       -3.279530    0.704813   -0.898651
     11          1           0       -1.809734   -1.256656   -0.824262
     12          1           0       -2.083473    0.313962    1.775341
     13          1           0       -1.795695   -1.428876    1.633948
     14          1           0       -3.325560   -0.738248    1.075630
     15          1           0        0.311141   -2.180305   -0.634440
     16          1           0        2.752158   -1.903833   -0.402347
     17          1           0        3.697081    0.302924    0.210779
     18          1           0        2.179271    2.223269    0.586598
     19          1           0       -0.268537    1.933636    0.348722
     20          1           0       -1.932969    0.976467   -1.788479
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.388995   0.000000
     3  C    2.417081   1.394596   0.000000
     4  C    2.769946   2.398496   1.392897   0.000000
     5  C    2.402025   2.776929   2.420692   1.390018   0.000000
     6  C    1.390741   2.411194   2.799536   2.406976   1.389371
     7  C    3.810694   2.533434   1.514939   2.521483   3.806020
     8  N    4.234882   2.882052   2.447126   3.660884   4.803056
     9  C    4.490470   3.267359   2.508580   3.394249   4.585501
    10  H    5.226763   3.857324   3.335273   4.469497   5.697152
    11  H    4.522988   3.384146   2.116422   2.572962   3.955490
    12  H    4.226730   3.044599   2.769298   3.841953   4.834976
    13  H    4.653538   3.641582   2.748964   3.217831   4.330719
    14  H    5.525537   4.243837   3.461101   4.319790   5.585773
    15  H    3.854008   3.381070   2.143730   1.084080   2.145651
    16  H    3.385743   3.859579   3.398051   2.145580   1.082677
    17  H    2.149967   3.392507   3.881992   3.389441   2.148464
    18  H    1.082843   2.143353   3.395128   3.852776   3.384444
    19  H    2.151213   1.081658   2.138349   3.375419   3.858523
    20  H    4.273931   3.063669   2.674669   3.726046   4.775815
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.313802   0.000000
     8  N    5.037665   1.466097   0.000000
     9  C    5.039091   1.529863   2.434787   0.000000
    10  H    6.015091   2.053177   1.013136   2.620239   0.000000
    11  H    4.755406   1.099840   2.139749   2.137290   2.452182
    12  H    4.996533   2.162339   2.678632   1.090741   2.955258
    13  H    4.944553   2.169455   3.389573   1.090264   3.628836
    14  H    6.098446   2.171647   2.694120   1.093152   2.445880
    15  H    3.387846   2.711304   3.975973   3.514109   4.613744
    16  H    2.147711   4.666152   5.741010   5.405033   6.590342
    17  H    1.082459   5.396215   6.088558   6.081710   7.075694
    18  H    2.147103   4.675316   4.882168   5.262449   5.857489
    19  H    3.394221   2.721568   2.582660   3.286345   3.483106
    20  H    5.004146   2.056524   1.013517   3.332100   1.636709
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.049543   0.000000
    13  H    2.464275   1.772087   0.000000
    14  H    2.485169   1.771869   1.768947   0.000000
    15  H    2.321049   4.214569   3.185748   4.269597   0.000000
    16  H    4.626847   5.748414   5.005502   6.362520   2.467563
    17  H    5.816237   5.988554   5.932548   7.151887   4.283154
    18  H    5.478372   4.819704   5.498678   6.270000   4.936832
    19  H    3.732177   2.820032   3.910307   4.124651   4.269326
    20  H    2.435516   3.627999   4.185394   3.616998   4.041416
                   16         17         18         19         20
    16  H    0.000000
    17  H    2.477616   0.000000
    18  H    4.282427   2.476431   0.000000
    19  H    4.941141   4.290032   2.476335   0.000000
    20  H    5.671676   6.012334   4.909789   2.873001   0.000000
 Stoichiometry    C8H11N
 Framework group  C1[X(C8H11N)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.03D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.772654    1.254975    0.322747
      2          6           0        0.398664    1.096214    0.195259
      3          6           0       -0.142652   -0.142756   -0.146542
      4          6           0        0.720678   -1.214760   -0.360157
      5          6           0        2.095925   -1.060117   -0.230036
      6          6           0        2.626396    0.177369    0.112866
      7          6           0       -1.641706   -0.341888   -0.237223
      8          7           0       -2.275754    0.831618   -0.845752
      9          6           0       -2.248939   -0.563784    1.149323
     10          1           0       -3.279530    0.704813   -0.898651
     11          1           0       -1.809734   -1.256656   -0.824262
     12          1           0       -2.083473    0.313962    1.775341
     13          1           0       -1.795695   -1.428876    1.633948
     14          1           0       -3.325560   -0.738248    1.075630
     15          1           0        0.311141   -2.180305   -0.634440
     16          1           0        2.752158   -1.903833   -0.402347
     17          1           0        3.697081    0.302924    0.210779
     18          1           0        2.179271    2.223269    0.586598
     19          1           0       -0.268537    1.933636    0.348722
     20          1           0       -1.932969    0.976467   -1.788479
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4441865           1.1140904           0.9851179
 Leave Link  202 at Fri Aug 13 10:47:07 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   286 symmetry adapted cartesian basis functions of A   symmetry.
 There are   268 symmetry adapted basis functions of A   symmetry.
   268 basis functions,   398 primitive gaussians,   286 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.7450469049 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0113451372 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.7337017677 Hartrees.
 Leave Link  301 at Fri Aug 13 10:47:08 2021, MaxMem=  5368709120 cpu:               7.0 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   268 RedAO= T EigKep=  5.02D-06  NBF=   268
 NBsUse=   268 1.00D-06 EigRej= -1.00D+00 NBFU=   268
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   286   286   286   286   286 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               3.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "22_phenylethanamine_conformer02_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               3.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368540348 LenY=  5368458111
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -365.859681175500    
 DIIS: error= 3.78D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -365.859681175500     IErMin= 1 ErrMin= 3.78D-03
 ErrMax= 3.78D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.20D-03 BMatP= 8.20D-03
 IDIUse=3 WtCom= 9.62D-01 WtEn= 3.78D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.377 Goal=   None    Shift=    0.000
 GapD=    0.377 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.04D-02 MaxDP=2.96D-01              OVMax= 1.47D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.36D-03    CP:  1.19D+00
 E= -365.866710194648     Delta-E=       -0.007029019147 Rises=F Damp=F
 DIIS: error= 7.28D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -365.866710194648     IErMin= 2 ErrMin= 7.28D-04
 ErrMax= 7.28D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.58D-04 BMatP= 8.20D-03
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.28D-03
 Coeff-Com: -0.533D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.529D-01 0.105D+01
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=1.84D-03 MaxDP=5.86D-02 DE=-7.03D-03 OVMax= 5.85D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.03D-04    CP:  1.23D+00  1.12D+00
 E= -365.866960613234     Delta-E=       -0.000250418586 Rises=F Damp=F
 DIIS: error= 3.97D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -365.866960613234     IErMin= 3 ErrMin= 3.97D-04
 ErrMax= 3.97D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.05D-05 BMatP= 1.58D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.97D-03
 Coeff-Com: -0.413D-01 0.419D+00 0.622D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.412D-01 0.418D+00 0.623D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=1.68D-04 MaxDP=1.57D-02 DE=-2.50D-04 OVMax= 1.98D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.57D-04    CP:  1.23D+00  1.13D+00  1.03D+00
 E= -365.867025953430     Delta-E=       -0.000065340196 Rises=F Damp=F
 DIIS: error= 9.68D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -365.867025953430     IErMin= 4 ErrMin= 9.68D-05
 ErrMax= 9.68D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.07D-06 BMatP= 7.05D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.437D-02-0.171D-01 0.115D+00 0.906D+00
 Coeff:     -0.437D-02-0.171D-01 0.115D+00 0.906D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=6.41D-05 MaxDP=4.62D-03 DE=-6.53D-05 OVMax= 7.94D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.58D-05    CP:  1.23D+00  1.13D+00  1.07D+00  1.17D+00
 E= -365.867029991552     Delta-E=       -0.000004038122 Rises=F Damp=F
 DIIS: error= 2.84D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -365.867029991552     IErMin= 5 ErrMin= 2.84D-05
 ErrMax= 2.84D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.10D-07 BMatP= 3.07D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.140D-02-0.356D-01-0.991D-02 0.334D+00 0.710D+00
 Coeff:      0.140D-02-0.356D-01-0.991D-02 0.334D+00 0.710D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=2.91D-05 MaxDP=2.85D-03 DE=-4.04D-06 OVMax= 3.11D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.60D-05    CP:  1.23D+00  1.13D+00  1.09D+00  1.27D+00  1.12D+00
 E= -365.867030709375     Delta-E=       -0.000000717823 Rises=F Damp=F
 DIIS: error= 9.48D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -365.867030709375     IErMin= 6 ErrMin= 9.48D-06
 ErrMax= 9.48D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.79D-08 BMatP= 6.10D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.845D-03-0.101D-01-0.132D-01 0.208D-01 0.224D+00 0.778D+00
 Coeff:      0.845D-03-0.101D-01-0.132D-01 0.208D-01 0.224D+00 0.778D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=9.47D-06 MaxDP=1.00D-03 DE=-7.18D-07 OVMax= 1.15D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.26D-06    CP:  1.23D+00  1.13D+00  1.09D+00  1.31D+00  1.22D+00
                    CP:  1.19D+00
 E= -365.867030780724     Delta-E=       -0.000000071350 Rises=F Damp=F
 DIIS: error= 2.53D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -365.867030780724     IErMin= 7 ErrMin= 2.53D-06
 ErrMax= 2.53D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.93D-09 BMatP= 4.79D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.360D-04 0.141D-02-0.123D-02-0.297D-01-0.222D-01 0.146D+00
 Coeff-Com:  0.906D+00
 Coeff:      0.360D-04 0.141D-02-0.123D-02-0.297D-01-0.222D-01 0.146D+00
 Coeff:      0.906D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=4.32D-06 MaxDP=5.30D-04 DE=-7.13D-08 OVMax= 5.52D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.28D-06    CP:  1.23D+00  1.13D+00  1.09D+00  1.33D+00  1.26D+00
                    CP:  1.34D+00  1.17D+00
 E= -365.867030788435     Delta-E=       -0.000000007710 Rises=F Damp=F
 DIIS: error= 1.48D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -365.867030788435     IErMin= 8 ErrMin= 1.48D-06
 ErrMax= 1.48D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.47D-09 BMatP= 3.93D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.115D-03 0.235D-02 0.158D-02-0.186D-01-0.472D-01-0.569D-01
 Coeff-Com:  0.450D+00 0.669D+00
 Coeff:     -0.115D-03 0.235D-02 0.158D-02-0.186D-01-0.472D-01-0.569D-01
 Coeff:      0.450D+00 0.669D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=1.74D-06 MaxDP=2.22D-04 DE=-7.71D-09 OVMax= 1.99D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.12D-07    CP:  1.23D+00  1.13D+00  1.09D+00  1.33D+00  1.28D+00
                    CP:  1.39D+00  1.31D+00  1.08D+00
 E= -365.867030790474     Delta-E=       -0.000000002039 Rises=F Damp=F
 DIIS: error= 1.70D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -365.867030790474     IErMin= 9 ErrMin= 1.70D-07
 ErrMax= 1.70D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.12D-11 BMatP= 1.47D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.127D-04 0.104D-03 0.214D-03 0.339D-03-0.236D-02-0.128D-01
 Coeff-Com: -0.196D-01 0.462D-01 0.988D+00
 Coeff:     -0.127D-04 0.104D-03 0.214D-03 0.339D-03-0.236D-02-0.128D-01
 Coeff:     -0.196D-01 0.462D-01 0.988D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=4.88D-07 MaxDP=6.49D-05 DE=-2.04D-09 OVMax= 5.27D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.40D-07    CP:  1.23D+00  1.13D+00  1.09D+00  1.33D+00  1.28D+00
                    CP:  1.40D+00  1.34D+00  1.18D+00  1.20D+00
 E= -365.867030790520     Delta-E=       -0.000000000046 Rises=F Damp=F
 DIIS: error= 1.04D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -365.867030790520     IErMin=10 ErrMin= 1.04D-07
 ErrMax= 1.04D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.44D-12 BMatP= 2.12D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.655D-05-0.191D-03-0.761D-04 0.191D-02 0.367D-02 0.105D-02
 Coeff-Com: -0.503D-01-0.499D-01 0.346D+00 0.748D+00
 Coeff:      0.655D-05-0.191D-03-0.761D-04 0.191D-02 0.367D-02 0.105D-02
 Coeff:     -0.503D-01-0.499D-01 0.346D+00 0.748D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=1.32D-07 MaxDP=1.51D-05 DE=-4.57D-11 OVMax= 1.60D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.77D-08    CP:  1.23D+00  1.13D+00  1.09D+00  1.33D+00  1.28D+00
                    CP:  1.41D+00  1.34D+00  1.21D+00  1.30D+00  1.18D+00
 E= -365.867030790540     Delta-E=       -0.000000000021 Rises=F Damp=F
 DIIS: error= 2.94D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -365.867030790540     IErMin=11 ErrMin= 2.94D-08
 ErrMax= 2.94D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.00D-13 BMatP= 5.44D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.343D-05-0.734D-04-0.465D-04 0.595D-03 0.143D-02 0.177D-02
 Coeff-Com: -0.143D-01-0.221D-01 0.401D-02 0.236D+00 0.793D+00
 Coeff:      0.343D-05-0.734D-04-0.465D-04 0.595D-03 0.143D-02 0.177D-02
 Coeff:     -0.143D-01-0.221D-01 0.401D-02 0.236D+00 0.793D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=3.87D-08 MaxDP=3.36D-06 DE=-2.08D-11 OVMax= 5.90D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.69D-08    CP:  1.23D+00  1.13D+00  1.09D+00  1.33D+00  1.28D+00
                    CP:  1.41D+00  1.35D+00  1.22D+00  1.33D+00  1.31D+00
                    CP:  1.21D+00
 E= -365.867030790544     Delta-E=       -0.000000000003 Rises=F Damp=F
 DIIS: error= 1.14D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -365.867030790544     IErMin=12 ErrMin= 1.14D-08
 ErrMax= 1.14D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.35D-14 BMatP= 6.00D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.319D-08 0.936D-05-0.205D-05-0.134D-03-0.204D-03 0.302D-03
 Coeff-Com:  0.429D-02 0.209D-02-0.522D-01-0.661D-01 0.210D+00 0.902D+00
 Coeff:     -0.319D-08 0.936D-05-0.205D-05-0.134D-03-0.204D-03 0.302D-03
 Coeff:      0.429D-02 0.209D-02-0.522D-01-0.661D-01 0.210D+00 0.902D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=1.49D-08 MaxDP=7.01D-07 DE=-3.30D-12 OVMax= 3.28D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  5.65D-09    CP:  1.23D+00  1.13D+00  1.09D+00  1.33D+00  1.28D+00
                    CP:  1.41D+00  1.35D+00  1.22D+00  1.34D+00  1.37D+00
                    CP:  1.36D+00  1.16D+00
 E= -365.867030790565     Delta-E=       -0.000000000021 Rises=F Damp=F
 DIIS: error= 6.95D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -365.867030790565     IErMin=13 ErrMin= 6.95D-09
 ErrMax= 6.95D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.47D-14 BMatP= 8.35D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.390D-06 0.117D-04 0.391D-05-0.114D-03-0.236D-03-0.981D-04
 Coeff-Com:  0.317D-02 0.324D-02-0.191D-01-0.536D-01-0.178D-01 0.335D+00
 Coeff-Com:  0.750D+00
 Coeff:     -0.390D-06 0.117D-04 0.391D-05-0.114D-03-0.236D-03-0.981D-04
 Coeff:      0.317D-02 0.324D-02-0.191D-01-0.536D-01-0.178D-01 0.335D+00
 Coeff:      0.750D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=3.93D-09 MaxDP=2.45D-07 DE=-2.14D-11 OVMax= 1.11D-07

 SCF Done:  E(RwB97XD) =  -365.867030791     A.U. after   13 cycles
            NFock= 13  Conv=0.39D-08     -V/T= 2.0119
 KE= 3.615727114209D+02 PE=-1.697955186208D+03 EE= 5.447817422286D+02
 Leave Link  502 at Fri Aug 13 10:49:08 2021, MaxMem=  5368709120 cpu:             943.9 elap:             118.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   268
 NBasis=   268 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    268 NOA=    33 NOB=    33 NVA=   235 NVB=   235

 **** Warning!!: The largest alpha MO coefficient is  0.86176785D+02

 Leave Link  801 at Fri Aug 13 10:49:09 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6045 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.29D-13 8.33D-09 XBig12= 1.00D+00 4.26D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.29D-13 8.33D-09 XBig12= 1.99D-01 8.08D-02.
     11 vectors produced by pass  2 Test12= 1.29D-13 8.33D-09 XBig12= 3.59D-02 6.22D-02.
     11 vectors produced by pass  3 Test12= 1.29D-13 8.33D-09 XBig12= 2.88D-03 1.48D-02.
     11 vectors produced by pass  4 Test12= 1.29D-13 8.33D-09 XBig12= 2.29D-04 4.78D-03.
     11 vectors produced by pass  5 Test12= 1.29D-13 8.33D-09 XBig12= 1.38D-05 5.58D-04.
     11 vectors produced by pass  6 Test12= 1.29D-13 8.33D-09 XBig12= 4.28D-07 1.11D-04.
     11 vectors produced by pass  7 Test12= 1.29D-13 8.33D-09 XBig12= 9.38D-09 1.39D-05.
     11 vectors produced by pass  8 Test12= 1.29D-13 8.33D-09 XBig12= 2.12D-10 2.49D-06.
     11 vectors produced by pass  9 Test12= 1.29D-13 8.33D-09 XBig12= 3.65D-12 2.63D-07.
      6 vectors produced by pass 10 Test12= 1.29D-13 8.33D-09 XBig12= 6.15D-14 4.59D-08.
      3 vectors produced by pass 11 Test12= 1.29D-13 8.33D-09 XBig12= 1.32D-14 1.46D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.131973D+03
      2  0.235858D+00  0.105961D+03
      3  0.122457D+01  0.579442D+01  0.765941D+02
 Isotropic polarizability for W=    0.085645      104.84 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.676814D+02  0.482055D+01  0.308365D+01
      2  -0.182494D+02 -0.683703D+01 -0.762646D+01
      3  -0.494320D+02  0.201648D+01  0.454282D+01
      4  -0.599544D+01  0.633460D+02  0.348387D+02
      5   0.192138D+02  0.359623D+02 -0.332977D+02
      6   0.147312D+02  0.495786D+01 -0.382564D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.163139D+01  0.213585D+01  0.961818D+00
      2   0.401071D+01  0.142639D+02 -0.123621D+02
      3  -0.368983D+01 -0.322048D+02 -0.132861D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.112356D+01  0.125843D+02  0.584213D+01
      2  -0.161301D+02  0.201075D+02  0.161342D+02
      3  -0.108160D+02 -0.815954D+02 -0.212311D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.769765D+00 -0.197986D+01  0.602711D-01
      2  -0.197986D+01 -0.243188D+01  0.295908D+01
      3   0.602711D-01  0.295908D+01  0.100847D+01
 OR G Eigenvalues:    -4.7038     0.8946     3.1555  Iso=     0.2179
 Eigenvectors:
   (1)   0.309744   0.842926  -0.439925
   (2)   0.849535  -0.037551   0.526194
   (3)  -0.427023   0.536718   0.727726
 w=    0.085645 a.u., Optical Rotation Beta=      0.2179 au.
 Molar Mass =    121.1816 grams/mole, [Alpha] ( 5320.0 A) =       85.27 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   36046 ScalPx= 1.12D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36046 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.07D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.15D-14 2.78D-09 XBig12= 1.00D+00 4.00D-01.
     30 vectors produced by pass  1 Test12= 2.15D-14 2.78D-09 XBig12= 5.01D-02 6.39D-02.
     30 vectors produced by pass  2 Test12= 2.15D-14 2.78D-09 XBig12= 1.68D-03 5.42D-03.
     30 vectors produced by pass  3 Test12= 2.15D-14 2.78D-09 XBig12= 2.45D-05 8.11D-04.
     30 vectors produced by pass  4 Test12= 2.15D-14 2.78D-09 XBig12= 3.05D-07 8.25D-05.
     30 vectors produced by pass  5 Test12= 2.15D-14 2.78D-09 XBig12= 3.14D-09 6.39D-06.
     30 vectors produced by pass  6 Test12= 2.15D-14 2.78D-09 XBig12= 2.51D-11 6.35D-07.
     30 vectors produced by pass  7 Test12= 2.15D-14 2.78D-09 XBig12= 1.91D-13 5.25D-08.
     10 vectors produced by pass  8 Test12= 2.15D-14 2.78D-09 XBig12= 1.71D-15 4.97D-09.
      5 vectors produced by pass  9 Test12= 2.15D-14 2.78D-09 XBig12= 5.65D-16 4.55D-09.
      5 vectors produced by pass 10 Test12= 2.15D-14 2.78D-09 XBig12= 2.65D-15 9.07D-09.
      2 vectors produced by pass 11 Test12= 2.15D-14 2.78D-09 XBig12= 1.20D-15 3.84D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.89D-15
 Solved reduced A of dimension   262 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36046 ScalPx= 4.38D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36046 ScalPx= 4.38D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36046 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.31D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.131973D+03  0.235858D+00  0.122457D+01
      2   0.235858D+00  0.105961D+03  0.579442D+01
      3   0.122457D+01  0.579442D+01  0.765941D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.163139D+01  0.213585D+01  0.961818D+00
      2   0.401071D+01  0.142639D+02 -0.123621D+02
      3  -0.368983D+01 -0.322048D+02 -0.132861D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.676814D+02  0.482055D+01  0.308365D+01
      2  -0.182494D+02 -0.683703D+01 -0.762646D+01
      3  -0.494320D+02  0.201648D+01  0.454282D+01
      4  -0.599544D+01  0.633460D+02  0.348387D+02
      5   0.192138D+02  0.359623D+02 -0.332977D+02
      6   0.147312D+02  0.495786D+01 -0.382564D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.389031D+01 -0.529207D+00 -0.123180D+00  0.491433D+01  0.287635D+00
      2  -0.529207D+00  0.225899D+01 -0.248188D+00  0.287635D+00  0.141417D+01
      3  -0.123180D+00 -0.248188D+00  0.744923D+00 -0.394615D+00 -0.100214D+01
                 6             7             8             9            10 
      1  -0.394615D+00  0.721582D+00 -0.747317D+00  0.190205D+01  0.384087D+01
      2  -0.100214D+01 -0.747317D+00 -0.130230D+01  0.346602D+01 -0.503774D+00
      3   0.132548D+01  0.190205D+01  0.346602D+01  0.269929D+01  0.170845D+00
                11            12            13            14            15 
      1  -0.503774D+00  0.170845D+00  0.809136D+01 -0.108448D+00  0.171688D+00
      2  -0.329050D+01 -0.664958D+00 -0.108448D+00  0.167323D+01 -0.812912D+00
      3  -0.664958D+00 -0.151831D+01  0.171688D+00 -0.812912D+00  0.141809D+01
                16            17            18            19            20 
      1   0.294602D+01 -0.564570D-01 -0.181530D+01 -0.172200D+02 -0.217816D+01
      2  -0.564570D-01 -0.162350D+01  0.304879D+01 -0.217816D+01 -0.254021D+01
      3  -0.181530D+01  0.304879D+01  0.137237D+01  0.446510D+00  0.695778D-01
                21            22            23            24            25 
      1   0.446510D+00 -0.283061D+01  0.122370D+01  0.159215D+01 -0.100784D+01
      2   0.695778D-01  0.122370D+01 -0.327673D+00 -0.351985D+00  0.144209D+01
      3  -0.187510D+01  0.159215D+01 -0.351985D+00  0.622889D-02 -0.404401D+01
                26            27            28            29            30 
      1   0.144209D+01 -0.404401D+01  0.510310D+01  0.241758D+01  0.563683D+00
      2  -0.566442D+00 -0.484182D+00  0.241758D+01 -0.224700D+01 -0.219133D+00
      3  -0.484182D+00 -0.650433D+00  0.563683D+00 -0.219133D+00 -0.826055D+00
                31            32            33            34            35 
      1  -0.683140D+01 -0.674186D+00  0.252706D+00 -0.808504D+00  0.903542D+00
      2  -0.674186D+00 -0.199451D+01  0.115110D+01  0.903542D+00  0.129462D+01
      3   0.252706D+00  0.115110D+01 -0.133299D+01 -0.784581D+00 -0.337036D+01
                36            37            38            39            40 
      1  -0.784581D+00 -0.243076D+01 -0.799157D+00 -0.320597D+00 -0.539390D+01
      2  -0.337036D+01 -0.799157D+00  0.262852D+01  0.821204D+00 -0.700693D+00
      3  -0.297650D+01 -0.320597D+00  0.821204D+00  0.161875D+01 -0.102472D+01
                41            42            43            44            45 
      1  -0.700693D+00 -0.102472D+01 -0.178576D+01 -0.733958D+00  0.283972D+01
      2  -0.106811D+01  0.121484D+01 -0.733958D+00  0.176878D+01 -0.294858D+01
      3   0.121484D+01 -0.124755D+01  0.283972D+01 -0.294858D+01 -0.143127D+01
                46            47            48            49            50 
      1   0.592605D+01  0.411555D+00 -0.406770D+00  0.877851D+00 -0.328981D+00
      2   0.411555D+00  0.320998D+01  0.246724D+00 -0.328981D+00  0.213866D+00
      3  -0.406770D+00  0.246724D+00  0.223060D+01 -0.139329D+01 -0.571474D+00
                51            52            53            54            55 
      1  -0.139329D+01 -0.372830D-01 -0.142550D+01  0.522434D+01  0.380237D+01
      2  -0.571474D+00 -0.142550D+01  0.570736D-02  0.424249D+00  0.593763D+00
      3  -0.293727D-01  0.522434D+01  0.424249D+00  0.773967D+00 -0.114414D+01
                56            57            58            59            60 
      1   0.593763D+00 -0.114414D+01  0.360831D+00  0.218969D+01 -0.228545D+01
      2   0.885645D+00 -0.104339D+01  0.218969D+01  0.479474D+01  0.346668D+01
      3  -0.104339D+01  0.237898D+01 -0.228545D+01  0.346668D+01  0.892073D+00
                61            62            63            64            65 
      1  -0.518876D+01 -0.174246D+01  0.470671D+01  0.722364D+01  0.110423D+01
      2  -0.174246D+01  0.293107D+01  0.250731D+01  0.110423D+01 -0.591451D+00
      3   0.470671D+01  0.250731D+01 -0.189246D+01  0.134092D+01  0.609015D+00
                66            67            68            69            70 
      1   0.134092D+01  0.362504D+01 -0.176147D+01  0.157546D+01  0.176386D+01
      2   0.609015D+00 -0.176147D+01  0.118878D+01 -0.158884D+01  0.311670D+00
      3  -0.181410D+01  0.157546D+01 -0.158884D+01 -0.166486D+00 -0.150330D+01
                71            72            73            74            75 
      1   0.311670D+00 -0.150330D+01  0.861699D+01  0.193153D+01 -0.146171D-01
      2   0.126795D+00 -0.124995D+01  0.193153D+01 -0.193475D+01  0.111449D+01
      3  -0.124995D+01  0.506136D+01 -0.146171D-01  0.111449D+01 -0.271083D+01
                76            77            78            79            80 
      1   0.154336D+01 -0.180340D+01  0.148316D+01  0.541259D+01  0.181157D+01
      2  -0.180340D+01  0.321465D+00 -0.409207D+01  0.181157D+01 -0.284325D+01
      3   0.148316D+01 -0.409207D+01 -0.122971D+01 -0.420921D+01 -0.172895D+01
                81            82            83            84            85 
      1  -0.420921D+01 -0.122752D+02  0.913678D+00 -0.223574D+01 -0.137169D+00
      2  -0.172895D+01  0.913678D+00 -0.848526D+00  0.469992D+00 -0.600980D+00
      3   0.156677D+01 -0.223574D+01  0.469992D+00 -0.158617D+01  0.349346D-01
                86            87            88            89            90 
      1  -0.600980D+00  0.349346D-01 -0.387554D+00  0.168833D+00 -0.101181D+01
      2   0.486965D+00  0.926854D-01  0.168833D+00  0.319967D+00  0.208433D+00
      3   0.926854D-01 -0.437546D-01 -0.101181D+01  0.208433D+00 -0.612804D+00
                91            92            93            94            95 
      1   0.842648D-02 -0.132811D+01 -0.527880D+00 -0.265176D+01 -0.137928D+01
      2  -0.132811D+01 -0.104011D+01 -0.253796D+00 -0.137928D+01 -0.655726D+01
      3  -0.527880D+00 -0.253796D+00 -0.874754D+00 -0.430453D+00 -0.206219D+01
                96            97            98            99           100 
      1  -0.430453D+00 -0.649462D+00 -0.343807D+00 -0.120336D+01 -0.369880D+00
      2  -0.206219D+01 -0.343807D+00 -0.275177D+01 -0.204251D+01  0.504524D+00
      3  -0.212514D+01 -0.120336D+01 -0.204251D+01 -0.195857D+01  0.369265D+00
               101           102           103           104           105 
      1   0.504524D+00  0.369265D+00  0.168206D+01 -0.466415D-01 -0.777945D+00
      2   0.375706D+00  0.989193D-02 -0.466415D-01  0.312853D+01  0.222221D+01
      3   0.989193D-02  0.834539D+00 -0.777945D+00  0.222221D+01  0.339534D+01
               106           107           108           109           110 
      1   0.668941D+00 -0.264311D+00 -0.826055D-01  0.291667D+00 -0.992548D+00
      2  -0.264311D+00  0.188241D+01  0.163220D+01 -0.992548D+00  0.142935D+01
      3  -0.826055D-01  0.163220D+01  0.346768D+01  0.513003D+00 -0.947878D+00
               111           112           113           114           115 
      1   0.513003D+00 -0.159199D+01  0.477734D+00 -0.159237D+00  0.294724D+00
      2  -0.947878D+00  0.477734D+00 -0.441737D+01  0.271462D+01 -0.341643D+00
      3   0.160095D+01 -0.159237D+00  0.271462D+01 -0.253009D+01  0.496428D+00
               116           117           118           119           120 
      1  -0.341643D+00  0.496428D+00 -0.133424D+02 -0.205986D+01  0.177222D+01
      2   0.198761D+01 -0.168546D+01 -0.205986D+01 -0.127715D+01  0.359575D+00
      3  -0.168546D+01  0.251438D+01  0.177222D+01  0.359575D+00 -0.162172D+01
               121           122           123           124           125 
      1  -0.199419D+01 -0.149267D+01  0.188217D+00 -0.930973D+00 -0.213731D+00
      2  -0.149267D+01 -0.823535D+00  0.597688D+00 -0.213731D+00  0.761146D-01
      3   0.188217D+00  0.597688D+00 -0.225544D+00 -0.724794D+00 -0.243620D-01
               126           127           128           129           130 
      1  -0.724794D+00 -0.160955D+01 -0.166266D+01 -0.520551D+00 -0.153701D+01
      2  -0.243620D-01 -0.166266D+01 -0.207254D+01 -0.616657D+00 -0.192985D+01
      3  -0.106928D+00 -0.520551D+00 -0.616657D+00 -0.423834D+00 -0.539584D+00
               131           132           133           134           135 
      1  -0.192985D+01 -0.539584D+00 -0.630427D+00 -0.677607D+00 -0.104357D+00
      2  -0.778446D+01 -0.202930D+01 -0.677607D+00 -0.216648D+01 -0.598911D+00
      3  -0.202930D+01 -0.140678D+01 -0.104357D+00 -0.598911D+00 -0.421839D+00
               136           137           138           139           140 
      1   0.476327D+01 -0.371513D+01 -0.715779D+00 -0.364376D+01  0.427356D+01
      2  -0.371513D+01  0.338723D+01  0.534601D+00  0.427356D+01 -0.634152D+01
      3  -0.715779D+00  0.534601D+00  0.662261D+00  0.943040D+00 -0.119457D+01
               141           142           143           144           145 
      1   0.943040D+00 -0.703952D+00  0.808439D+00  0.201976D+00  0.129015D+02
      2  -0.119457D+01  0.808439D+00 -0.140883D+01 -0.305849D+00  0.116885D+01
      3  -0.101606D+01  0.201976D+00 -0.305849D+00 -0.242084D+00  0.961016D+00
               146           147           148           149           150 
      1   0.116885D+01  0.961016D+00  0.111374D+01  0.161202D+01  0.460255D+00
      2   0.888096D+00  0.467961D-01  0.161202D+01  0.454619D+00  0.150349D+00
      3   0.467961D-01  0.102814D+01  0.460255D+00  0.150349D+00  0.163395D+00
               151           152           153           154           155 
      1   0.107135D+01  0.464364D+00  0.121890D+00  0.225976D+01  0.254509D+01
      2   0.464364D+00  0.131597D+00  0.326953D-01  0.254509D+01  0.273483D+01
      3   0.121890D+00  0.326953D-01  0.152583D+00  0.732136D+00  0.708110D+00
               156           157           158           159           160 
      1   0.732136D+00  0.229720D+01  0.362208D+01  0.947391D+00  0.729881D+00
      2   0.708110D+00  0.362208D+01  0.885569D+01  0.210487D+01  0.102558D+01
      3   0.556737D+00  0.947391D+00  0.210487D+01  0.142943D+01  0.294887D+00
               161           162           163           164           165 
      1   0.102558D+01  0.294887D+00 -0.421385D+01  0.211089D+01 -0.109968D+00
      2   0.224748D+01  0.603437D+00  0.211089D+01 -0.252120D+01 -0.330979D+00
      3   0.603437D+00  0.429185D+00 -0.109968D+00 -0.330979D+00 -0.587128D+00
               166           167           168           169           170 
      1   0.220552D+01 -0.265123D+01 -0.593753D+00 -0.137298D+00 -0.500158D+00
      2  -0.265123D+01  0.555450D+01  0.888229D+00 -0.500158D+00  0.111208D+01
      3  -0.593753D+00  0.888229D+00  0.888615D+00 -0.173268D+00  0.218626D+00
               171           172           173           174           175 
      1  -0.173268D+00  0.614270D+00  0.669035D-01 -0.750365D+00 -0.995009D-01
      2   0.218626D+00  0.669035D-01  0.565094D+00 -0.664995D+00 -0.208600D+00
      3   0.167985D+00 -0.750365D+00 -0.664995D+00  0.218214D+01 -0.499443D-01
               176           177           178           179           180 
      1  -0.208600D+00 -0.499443D-01 -0.134113D+01  0.110872D+00 -0.131405D+00
      2   0.122790D+01 -0.897789D+00  0.110872D+00 -0.122165D+01  0.229735D+01
      3  -0.897789D+00  0.183483D+01 -0.131405D+00  0.229735D+01 -0.791269D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.102468D-01  0.983796D+00 -0.153758D+01  0.165129D+01 -0.172335D-01
      2  -0.767605D+00  0.272534D+01  0.122211D+01  0.156274D+01 -0.308942D+01
      3   0.207056D+01 -0.126536D+02 -0.245438D+01  0.311082D+01 -0.124382D+01
                 6             7             8             9            10 
      1  -0.218175D+01 -0.511448D+01  0.606267D+00 -0.113804D+01 -0.652534D+00
      2   0.321132D+01 -0.804884D+01  0.831171D+01  0.481419D+01  0.143381D+01
      3   0.178801D+01 -0.614192D+00  0.369142D+01 -0.418144D+01  0.180352D+01
                11            12            13            14            15 
      1   0.739227D-02  0.188785D+01 -0.874569D+00 -0.182390D-01 -0.233184D+01
      2   0.377332D+00 -0.112909D+01  0.418418D+01  0.786224D+00  0.108710D+01
      3   0.500727D+00  0.129686D+01  0.284733D+01 -0.695506D+01  0.102790D+01
                16            17            18            19            20 
      1   0.691616D+01  0.343334D+01  0.454116D+00 -0.937163D+00 -0.287231D+00
      2  -0.122392D+02  0.214889D+00  0.287006D+00 -0.369784D+01 -0.131115D+01
      3  -0.872908D+00 -0.663629D+00 -0.611986D+01  0.266687D+00  0.757821D+01
                21            22            23            24            25 
      1   0.331931D+00 -0.112597D+01 -0.348823D+01  0.580176D+00 -0.486253D+00
      2  -0.198082D+01 -0.155344D+01  0.703127D+00 -0.435069D-02 -0.140571D+02
      3   0.926426D+00  0.171151D+02  0.202278D+01 -0.197723D+01  0.236773D+00
                26            27            28            29            30 
      1   0.947752D+01  0.224876D+01  0.174148D-01  0.128796D+01 -0.135180D+01
      2   0.255398D+00  0.119071D+00  0.385373D+01  0.166910D+01 -0.214958D+00
      3  -0.395299D-02  0.548102D+00 -0.569951D+01 -0.344645D+01 -0.216902D+01
                31            32            33            34            35 
      1   0.109276D+01  0.804397D+00 -0.225557D+01 -0.505058D+01  0.116791D+01
      2   0.196146D+01 -0.805370D+00 -0.124448D+01 -0.137428D+02 -0.126708D+01
      3   0.338635D+01  0.679929D+01  0.131024D+00 -0.304842D+01 -0.139574D+01
                36            37            38            39            40 
      1  -0.543913D+00 -0.436116D+00 -0.781476D+00  0.203554D+01 -0.164436D+01
      2  -0.330289D+01 -0.126940D+01  0.189016D+01  0.273969D+01 -0.128949D+01
      3   0.513948D+01  0.404194D+01 -0.101821D+02 -0.200452D+01  0.672035D+01
                41            42            43            44            45 
      1  -0.351523D+00 -0.164871D+01  0.683348D+01  0.333853D+01  0.132937D+01
      2   0.342964D+01 -0.379854D+01 -0.363511D+01 -0.992656D+01 -0.386853D+01
      3   0.153554D+01 -0.202382D+01  0.292412D+00 -0.325392D+01  0.401996D+01
                46            47            48            49            50 
      1   0.318185D+00 -0.638059D+00 -0.712445D+00 -0.805038D+00 -0.285115D+01
      2   0.513219D+00 -0.125345D+00  0.597091D+01 -0.493737D+01  0.255309D-01
      3  -0.229855D+01 -0.649209D+01 -0.620562D-01  0.112012D+02 -0.162292D+01
                51            52            53            54            55 
      1   0.746692D+00 -0.200790D+01  0.111198D+02  0.296575D+01 -0.908219D+00
      2   0.639986D+00  0.728480D+01  0.236938D+01  0.173664D+01  0.295920D+01
      3   0.935787D+00  0.413237D+01  0.388905D+00 -0.644025D+00 -0.372639D+00
                56            57            58            59            60 
      1  -0.701105D+00 -0.848884D+00  0.267370D+01  0.320802D+01  0.604984D+00
      2   0.129318D+01 -0.210508D+01  0.246840D+01 -0.715653D+01 -0.184973D+01
      3  -0.112534D+01  0.646576D+00  0.856781D+01  0.608157D+01  0.747504D+01
                61            62            63            64            65 
      1   0.268490D+01  0.411807D+01 -0.181901D+01 -0.248402D+01  0.194577D+01
      2  -0.155080D+02 -0.614118D+01  0.335004D+01  0.217715D+01 -0.140238D+01
      3   0.282933D+00  0.107485D+02  0.336543D+01  0.167496D+02 -0.661502D+01
                66            67            68            69            70 
      1   0.230980D+01 -0.414696D+00 -0.249572D+01 -0.259976D+01 -0.106240D+01
      2   0.905525D+01 -0.466302D-04  0.207872D+01  0.111457D+01  0.614986D+00
      3   0.488104D+01  0.316224D+01  0.418089D+01 -0.305513D+01  0.288848D+01
                71            72            73            74            75 
      1   0.606987D+01 -0.739389D+01  0.333165D+01 -0.300698D+01 -0.372137D+00
      2   0.459322D+01 -0.135502D+02 -0.124909D+02 -0.545179D+01  0.102711D+02
      3  -0.494009D+00 -0.461963D+01  0.284893D+00 -0.957935D+01  0.196625D+01
                76            77            78            79            80 
      1  -0.460381D+00 -0.127076D+01 -0.107774D+02 -0.131175D+01 -0.553015D+01
      2  -0.531547D+01  0.131656D+02  0.189362D+01  0.749874D+01  0.326542D+01
      3  -0.286207D+01  0.241273D+01 -0.136174D+02  0.886498D+00 -0.121952D+02
                81            82            83            84            85 
      1  -0.573106D+00  0.177256D+01  0.903034D+00  0.107390D+01 -0.493634D-01
      2   0.501976D+00 -0.465161D+01 -0.333168D+00  0.467994D+01 -0.713359D+00
      3  -0.165580D+01 -0.106843D+02 -0.439950D+01 -0.126731D+01 -0.138211D+01
                86            87            88            89            90 
      1  -0.261626D+00 -0.543348D+00  0.139402D+00  0.156100D+00  0.129104D+00
      2  -0.653753D+00  0.796344D+00  0.961403D+00 -0.795754D-02  0.882069D+00
      3   0.623749D+00  0.759275D+00 -0.266557D+00  0.553545D+00 -0.343605D+00
                91            92            93            94            95 
      1  -0.562992D+00 -0.162907D+00 -0.745942D+00 -0.894107D+00  0.268392D+00
      2   0.113594D+01  0.168890D+00  0.231020D+01 -0.691841D+00  0.388598D+01
      3  -0.342969D+01 -0.199670D+01 -0.251086D+00  0.322183D+01 -0.123664D+02
                96            97            98            99           100 
      1  -0.417040D+01 -0.806999D+00  0.271103D+00 -0.212387D+01  0.150259D+01
      2   0.392248D+01  0.211033D+00  0.303995D+01  0.319867D+01 -0.161862D+01
      3  -0.390190D+01  0.113717D+01 -0.552434D+01 -0.308791D+01  0.226886D+01
               101           102           103           104           105 
      1   0.134054D+01  0.189160D+00  0.441998D+00  0.756507D+01  0.342165D+01
      2  -0.953688D+00 -0.177829D+01 -0.165543D+01 -0.643200D+01 -0.782753D+01
      3   0.986867D+00  0.109942D-01  0.182758D+01  0.885939D+01  0.641129D+01
               106           107           108           109           110 
      1  -0.340973D+00  0.567951D+01  0.430720D+01 -0.153646D+01  0.220519D+01
      2  -0.235255D+01 -0.413811D+01 -0.818395D+01 -0.314609D+01  0.330446D+01
      3  -0.462732D+00  0.530254D+01  0.464736D+01 -0.421246D+01  0.415587D+01
               111           112           113           114           115 
      1   0.660815D+00  0.121474D+01 -0.508288D+01  0.134239D+00  0.274308D+00
      2  -0.335910D+01  0.362129D+01 -0.781035D+01  0.614736D+01 -0.346020D+01
      3  -0.230081D+01  0.523513D+01 -0.111288D+02  0.688806D+01 -0.138909D+01
               116           117           118           119           120 
      1   0.333125D+01 -0.497161D-01 -0.116831D+01 -0.200923D+01 -0.135145D+01
      2   0.463729D+01 -0.630973D+01  0.101366D+02  0.121931D+01  0.626177D+01
      3   0.520402D+01 -0.483317D+01  0.331553D+01 -0.560194D+01  0.645431D-01
               121           122           123           124           125 
      1  -0.163065D+01 -0.467697D+00 -0.178222D+00 -0.777011D+00  0.103163D+01
      2   0.182417D+01 -0.306449D+00  0.863503D+00  0.107038D+01 -0.107085D+00
      3  -0.172243D+01 -0.157670D+01  0.165872D+01 -0.915079D-01  0.121264D+01
               126           127           128           129           130 
      1  -0.284612D+00  0.127298D+00  0.336281D+00 -0.152809D+01  0.107284D+00
      2   0.110481D+01 -0.173571D+01 -0.114577D+01 -0.239483D-01 -0.169882D+01
      3   0.761854D+00  0.616976D+01  0.341805D+01  0.128106D+01  0.671633D+01
               131           132           133           134           135 
      1   0.793515D+00 -0.395031D+01  0.604828D+00  0.223563D+01 -0.593107D+00
      2  -0.228128D+01 -0.138075D+00 -0.186390D+01 -0.610656D+00  0.402988D-01
      3   0.810207D+01  0.254083D+01  0.233109D+01  0.230528D+01  0.351368D+00
               136           137           138           139           140 
      1   0.171166D+00 -0.628686D+00  0.219358D+01  0.288683D+00  0.318669D+00
      2  -0.239457D-01  0.495437D-01  0.285348D+01  0.915307D+00 -0.168982D+01
      3   0.149101D+01 -0.465229D+01 -0.282125D+00 -0.328640D+01  0.106903D+02
               141           142           143           144           145 
      1  -0.325175D+01 -0.946878D+00  0.147032D+01 -0.402745D+00 -0.135862D+00
      2  -0.357813D+01 -0.730730D+00  0.448234D+00 -0.477071D+00  0.115724D+01
      3   0.156951D+01 -0.941856D+00  0.255028D+01  0.381186D+00 -0.472483D+00
               146           147           148           149           150 
      1   0.373377D+00 -0.585880D+00  0.268097D-01  0.252250D-01 -0.394006D+00
      2  -0.907828D-01  0.628282D+01  0.166435D+01  0.357866D+00  0.886391D+00
      3  -0.530976D+01  0.163362D+00 -0.377403D+01 -0.126895D+01 -0.371780D+00
               151           152           153           154           155 
      1   0.365136D+00  0.472709D+00 -0.463002D-01 -0.206563D+00  0.126341D+00
      2  -0.239888D+01 -0.119254D+00  0.424419D+00  0.309852D+00  0.577928D+00
      3  -0.143778D+01 -0.773508D+00 -0.606079D-01 -0.736485D+00 -0.247546D+01
               156           157           158           159           160 
      1  -0.168037D+01 -0.240591D+00  0.521104D+00 -0.430209D+01  0.583640D+00
      2   0.168562D+01  0.538752D+00  0.302683D+01  0.354480D+01 -0.435113D+00
      3  -0.408098D+00 -0.119053D+01 -0.128535D+02 -0.275002D+01 -0.365110D+00
               161           162           163           164           165 
      1   0.185474D+01 -0.704136D+00  0.146208D+01 -0.750687D+00  0.255372D+01
      2   0.168433D+00  0.905334D+00  0.260228D+01 -0.839010D+00  0.818631D+00
      3  -0.339382D+01 -0.735973D+00 -0.117941D+02  0.340751D+01 -0.778200D+00
               166           167           168           169           170 
      1   0.177299D+00  0.799423D-01 -0.296268D+01  0.132472D+00  0.184178D+01
      2  -0.876364D+00  0.124978D+01 -0.871063D+00 -0.132790D+01  0.443473D+00
      3   0.623732D+01 -0.474480D+01 -0.141378D+01 -0.109757D+01 -0.135146D+01
               171           172           173           174           175 
      1  -0.531182D-01  0.315048D+00 -0.543323D+00 -0.252172D+01 -0.146531D+00
      2  -0.345012D+00  0.373431D+01  0.127582D+01 -0.526098D+01 -0.900947D-02
      3  -0.315464D+00  0.111614D+01  0.149858D+01 -0.215733D+01  0.856195D+00
               176           177           178           179           180 
      1  -0.177287D+00 -0.223910D+01 -0.507383D+00  0.837828D+00  0.718908D+01
      2   0.151571D+01 -0.479557D+01 -0.382914D+01 -0.554988D+01  0.180603D+02
      3   0.257301D+01 -0.146179D+01 -0.160001D+01 -0.290755D+01  0.738274D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.830296D+01 -0.209814D+02 -0.333709D+01  0.209628D+02  0.118891D+02
      2  -0.835216D+01  0.141600D+02  0.109775D+01 -0.171339D+02 -0.138878D+02
      3   0.491936D-01  0.682133D+01  0.223934D+01 -0.382892D+01  0.199879D+01
      4  -0.149242D+02 -0.557936D+01 -0.381381D+01  0.104175D+02 -0.191790D+01
      5  -0.618237D+01 -0.202764D+01 -0.894051D+00  0.352713D+00 -0.673926D+01
      6  -0.516780D+01 -0.619659D+00  0.317064D+01 -0.513442D+01 -0.109868D+02
                 6             7             8             9            10 
      1   0.442583D+01  0.506174D+01  0.119137D+01 -0.524705D+01 -0.114007D+01
      2  -0.634198D+01 -0.809823D+01 -0.927993D+01 -0.488171D+01  0.300779D+00
      3   0.191615D+01  0.303649D+01  0.808856D+01  0.101288D+02  0.839291D+00
      4  -0.613135D+01 -0.291034D+01 -0.103770D+02  0.131909D+02  0.111179D+02
      5   0.683663D+01  0.118562D+02  0.136057D+02  0.979115D+01  0.320404D+01
      6   0.274657D+01  0.604203D+01  0.128157D+02  0.347289D+01  0.269705D+01
                11            12            13            14            15 
      1   0.163580D+02  0.408697D+01 -0.467393D+01  0.194150D+01  0.442788D+01
      2  -0.126812D+02 -0.272927D+00  0.124604D+02 -0.391066D+01 -0.344473D+01
      3  -0.367676D+01 -0.381404D+01 -0.778644D+01  0.196915D+01 -0.983155D+00
      4  -0.102128D+02 -0.707191D+00  0.404979D+01  0.131874D+02  0.256020D+01
      5  -0.169222D+01 -0.179004D+01  0.355225D+01  0.265314D+01  0.225939D+00
      6  -0.183120D+01 -0.420745D+01  0.873716D+01 -0.562455D+01  0.430862D+01
                16            17            18            19            20 
      1  -0.181833D+01  0.568862D+01 -0.138061D+02 -0.197986D+02 -0.247961D+01
      2   0.749265D+01 -0.846803D+01  0.180609D+01  0.525141D+01  0.184180D+01
      3  -0.567432D+01  0.277941D+01  0.120000D+02  0.145472D+02  0.637806D+00
      4   0.295298D+01  0.203332D+01  0.348973D+01  0.489385D+01  0.195201D+01
      5   0.307340D+01  0.215442D+01 -0.230681D+00 -0.817550D+01 -0.120116D+01
      6  -0.339226D+01  0.112168D+02 -0.144074D-01 -0.405536D+01  0.411235D+00
                21            22            23            24            25 
      1  -0.248701D+01  0.248124D+01 -0.981017D+01 -0.163872D+01 -0.505575D+01
      2  -0.219602D-01 -0.426761D+01  0.139209D+02  0.718410D+01 -0.121262D+01
      3   0.250897D+01  0.178637D+01 -0.411075D+01 -0.554537D+01  0.626837D+01
      4  -0.534823D+00 -0.103512D+02 -0.222731D+01  0.106877D+01 -0.598374D+01
      5   0.271748D+00 -0.595428D+01  0.101685D+01 -0.391687D+00  0.506064D+01
      6   0.113523D+01 -0.342729D+01  0.587289D+01 -0.197033D+00  0.225584D+00
                26            27            28            29            30 
      1  -0.230817D+01 -0.873577D+01  0.117987D+02 -0.105570D+02 -0.836782D+00
      2   0.478950D+01 -0.332598D+01 -0.804248D+01  0.866587D+01 -0.114860D+00
      3  -0.248133D+01  0.120618D+02 -0.375619D+01  0.189115D+01  0.951642D+00
      4   0.125674D+01  0.105523D+01 -0.809475D+01 -0.176863D+02 -0.396334D+01
      5   0.835860D+00 -0.101628D+01  0.133220D+01 -0.270517D+01 -0.345685D+01
      6   0.585167D+01 -0.345581D+01 -0.165783D+01 -0.786075D+00  0.305462D+01
                31            32            33            34            35 
      1  -0.242973D+00  0.814990D+01  0.594486D+01  0.254828D+01  0.417969D+01
      2  -0.802774D+01 -0.104610D+02 -0.754561D+01 -0.514593D+01 -0.114123D+02
      3   0.827071D+01  0.231107D+01  0.160075D+01  0.259764D+01  0.723256D+01
      4   0.110461D+02 -0.127787D+02 -0.204153D+01 -0.398767D+00 -0.281915D+01
      5  -0.560878D+00 -0.246595D+01 -0.846142D+00  0.311003D+01 -0.528422D+01
      6  -0.587934D+01 -0.107862D+02  0.232467D+01  0.156758D+01  0.127125D+02
                36            37            38            39            40 
      1  -0.150813D+02 -0.175246D+01  0.224906D+02  0.602113D+01 -0.267094D+02
      2   0.149363D+00 -0.192260D+01 -0.147973D+02 -0.106102D+01  0.233848D+02
      3   0.149320D+02  0.367506D+01 -0.769328D+01 -0.496011D+01  0.332460D+01
      4  -0.667062D+01  0.157742D+02  0.356294D+01  0.223946D+01  0.242740D+01
      5  -0.474837D+01  0.419672D+00  0.429748D+00  0.535585D+01 -0.597835D+01
      6   0.472894D+01  0.250672D+00 -0.225688D+01 -0.523640D+01  0.772058D+01
                41            42            43            44            45 
      1   0.520194D+01  0.623179D+00 -0.892573D+01  0.434711D+01  0.246702D+01
      2  -0.763473D+01 -0.116622D+01  0.114802D+02 -0.817861D+01 -0.813775D+01
      3   0.243278D+01  0.543046D+00 -0.255442D+01  0.383150D+01  0.567073D+01
      4   0.880891D+01  0.970395D+01 -0.187289D+01  0.101305D+02 -0.140316D+02
      5   0.810770D+01 -0.726691D+01  0.183893D+02 -0.145014D+02 -0.914837D+01
      6  -0.680354D+01  0.311209D+01 -0.650545D+01  0.109483D+02 -0.865999D+00
                46            47            48            49            50 
      1  -0.986974D+01 -0.296843D+01 -0.471720D+01  0.942694D+01 -0.210587D+02
      2   0.735815D+01  0.242276D+01  0.221283D+01 -0.746856D+01  0.172898D+02
      3   0.251159D+01  0.545669D+00  0.250437D+01 -0.195838D+01  0.376898D+01
      4  -0.184741D+01  0.215736D+02  0.142994D+01 -0.181648D+02 -0.379094D+01
      5  -0.353054D+01  0.114163D+01  0.139626D+02 -0.135976D+02 -0.131843D+01
      6   0.148790D+01  0.501973D+00  0.169394D+01 -0.341936D+01  0.394147D+01
                51            52            53            54            55 
      1  -0.899397D+01 -0.346956D+01 -0.993234D+01  0.139312D+02  0.111870D+02
      2   0.992111D+01 -0.960891D+00  0.723210D+01 -0.160467D+02 -0.300551D+01
      3  -0.927142D+00  0.443045D+01  0.270024D+01  0.211546D+01 -0.818145D+01
      4  -0.410113D+01 -0.145143D+02 -0.168576D+01  0.211867D+01  0.100270D+01
      5   0.565236D+00  0.344499D+02  0.320088D+01  0.465124D+01  0.599617D+01
      6  -0.101065D+01  0.128959D+01  0.525114D+01 -0.411615D+01  0.230129D+01
                56            57            58            59            60 
      1   0.712745D+00 -0.151326D+01  0.994940D+01  0.584796D+01  0.766978D+01
      2   0.227782D+01 -0.131870D+01 -0.664585D+01 -0.114450D+02 -0.145563D+02
      3  -0.299057D+01  0.283196D+01 -0.330355D+01  0.559699D+01  0.688648D+01
      4  -0.828967D+01  0.342207D+01 -0.128442D+02 -0.195873D+02 -0.161702D+02
      5   0.349606D+01 -0.138084D+02  0.151095D+02 -0.141332D+02 -0.158474D+01
      6  -0.591970D+00 -0.722274D+00 -0.479844D+01 -0.116307D+02 -0.708946D+01
                61            62            63            64            65 
      1   0.462889D+01  0.647299D+01 -0.530680D+01 -0.367889D+02  0.440890D+00
      2  -0.977994D+01 -0.492651D+01  0.667726D+01  0.244041D+02 -0.384148D+01
      3   0.515105D+01 -0.154648D+01 -0.137046D+01  0.123848D+02  0.340059D+01
      4   0.118968D+02 -0.155225D+02 -0.119066D+02  0.341883D+00  0.110313D+02
      5  -0.272722D+02 -0.115888D+02  0.848949D+01 -0.165592D+02 -0.141121D+01
      6  -0.729445D+01 -0.881915D+01  0.190974D+01 -0.669929D+00  0.146934D+01
                66            67            68            69            70 
      1  -0.104361D+02 -0.111949D+02 -0.329631D+01 -0.409329D+01 -0.875510D+01
      2   0.119684D+01  0.388362D+01  0.131306D+02  0.614305D-01  0.262207D+01
      3   0.923922D+01  0.731133D+01 -0.983432D+01  0.403186D+01  0.613303D+01
      4   0.777297D+00  0.171583D+02 -0.107890D+02  0.973662D+01 -0.226340D+00
      5   0.104312D+02 -0.113861D+02  0.859668D+01 -0.182659D+01  0.925026D+01
      6  -0.331246D+01  0.555540D+01 -0.394902D+01  0.638935D+01 -0.111177D+01
                71            72            73            74            75 
      1  -0.660228D+00  0.148594D+02 -0.538522D+02 -0.155955D+02  0.933578D+01
      2  -0.643623D+01  0.711386D+00  0.220326D+02  0.935464D+01 -0.101543D+01
      3   0.709646D+01 -0.155708D+02  0.318196D+02  0.624083D+01 -0.832035D+01
      4   0.138333D+01  0.229795D+01 -0.201365D+02  0.717645D+01 -0.311317D+01
      5   0.438322D+01 -0.168279D+02  0.131593D+02 -0.428118D+00  0.119647D+02
      6   0.311937D+01  0.895957D+01  0.400320D+01 -0.688043D+01  0.412299D+01
                76            77            78            79            80 
      1  -0.162292D+02  0.184471D+02 -0.417657D+01 -0.211370D-01 -0.589922D+01
      2   0.865515D+01 -0.469961D+01  0.125033D+02  0.891715D+01  0.115172D+02
      3   0.757403D+01 -0.137475D+02 -0.832670D+01 -0.889602D+01 -0.561795D+01
      4   0.700348D+01  0.245335D+01  0.170088D+02 -0.877736D+01  0.129023D+02
      5  -0.326055D+01  0.126691D+02  0.819113D+01  0.242048D+02  0.108820D+02
      6  -0.386141D+01  0.376393D+01 -0.122299D+02  0.847808D+01 -0.796285D+01
                81            82            83            84            85 
      1   0.119337D+02  0.715560D+02 -0.334494D+01  0.942622D+01  0.423199D+01
      2  -0.122253D+02 -0.413132D+02  0.151180D+01 -0.816447D+01 -0.215146D+01
      3   0.291658D+00 -0.302428D+02  0.183314D+01 -0.126175D+01 -0.208053D+01
      4   0.112065D+02 -0.144578D+02  0.721348D+01 -0.386774D+01  0.598355D+01
      5  -0.132084D+02  0.278554D+02 -0.321875D+01  0.131423D+02  0.243059D+00
      6  -0.550671D+01 -0.228602D+01  0.213863D+01 -0.241862D+01  0.173820D+01
                86            87            88            89            90 
      1   0.308489D+01 -0.964824D+00  0.309078D+01 -0.757165D+00  0.432913D+01
      2  -0.389475D+00  0.852372D+00 -0.296384D+01  0.888020D+00 -0.417344D+01
      3  -0.269541D+01  0.112452D+00 -0.126942D+00 -0.130855D+00 -0.155695D+00
      4  -0.171199D+01  0.172110D+00 -0.183365D+01 -0.419868D-01 -0.139722D+01
      5   0.341098D+00  0.246389D+00  0.102437D+02 -0.144388D+01  0.543010D+01
      6  -0.861611D-01  0.119499D+01 -0.151659D+01  0.101710D+01 -0.960552D+00
                91            92            93            94            95 
      1   0.858602D+00  0.257499D+01  0.190176D+01  0.116322D+01 -0.127934D+02
      2   0.166826D+01 -0.196954D+00 -0.140890D+00  0.172479D+01  0.199982D+02
      3  -0.252686D+01 -0.237804D+01 -0.176087D+01 -0.288800D+01 -0.720482D+01
      4   0.757248D+01  0.100495D+02  0.276603D+01  0.103488D+02  0.290279D+02
      5   0.298301D+01  0.276168D+01  0.666908D+01  0.332239D+01  0.788353D+01
      6   0.404811D+01  0.174180D+01  0.119359D+01  0.281118D+01  0.158344D+02
                96            97            98            99           100 
      1  -0.496135D+01  0.581510D+00 -0.638810D+01 -0.509083D+01  0.356420D+01
      2   0.640192D+01  0.635333D+00  0.525730D+01  0.129867D+01 -0.237789D+01
      3  -0.144057D+01 -0.121684D+01  0.113080D+01  0.379216D+01 -0.118630D+01
      4   0.887897D+01  0.319037D+01  0.121000D+02  0.884239D+01 -0.879644D+00
      5   0.894416D+01  0.783595D+01  0.806901D+01  0.768010D+01 -0.223474D+01
      6   0.100843D+02  0.320505D+01  0.119803D+02  0.917947D+01  0.196149D+01
               101           102           103           104           105 
      1  -0.172667D+01 -0.507078D+01 -0.529166D+01 -0.767866D+01 -0.593438D+01
      2   0.744547D+00  0.300348D+00  0.396798D+01  0.612714D-01 -0.658349D+01
      3   0.982124D+00  0.477043D+01  0.132369D+01  0.761739D+01  0.125179D+02
      4  -0.196867D+00  0.446777D+00  0.200111D+01 -0.155423D+02 -0.106940D+02
      5   0.172471D+01 -0.388353D-01  0.757891D+01 -0.890135D+01 -0.150876D+02
      6   0.158958D+01 -0.396106D-02 -0.253541D+00  0.117433D+02  0.976559D+01
               106           107           108           109           110 
      1  -0.363362D+01 -0.395208D+01 -0.105543D+02 -0.140870D+01  0.941202D+01
      2   0.255011D+01 -0.495851D+01 -0.700895D+01  0.184769D+01 -0.646119D+01
      3   0.108351D+01  0.891059D+01  0.175633D+02 -0.438994D+00 -0.295083D+01
      4   0.125956D+01 -0.913900D+01 -0.820599D+01  0.166178D+01 -0.236732D+01
      5   0.426494D+01 -0.696811D+01 -0.137312D+02  0.491695D+00 -0.262702D+00
      6  -0.789834D+00  0.888421D+01  0.743922D+01 -0.360629D+01  0.627225D+01
               111           112           113           114           115 
      1  -0.783739D+01  0.918599D+01 -0.192777D+02  0.122351D+02 -0.391157D+01
      2   0.184991D+01 -0.546537D+01  0.166555D+02 -0.523049D+01  0.734962D+00
      3   0.598748D+01 -0.372062D+01  0.262219D+01 -0.700457D+01  0.317661D+01
      4   0.144944D+01  0.273123D+01  0.155780D+02 -0.100864D+02 -0.111594D+00
      5  -0.246920D+01 -0.436261D+01 -0.745047D+01  0.779285D+01  0.167509D+01
      6  -0.540684D+01  0.183347D+01 -0.180375D+02  0.145156D+02 -0.222268D+01
               116           117           118           119           120 
      1   0.976915D+01 -0.135451D+02  0.811710D+02  0.101874D+02 -0.562775D+01
      2  -0.380872D+01  0.180883D+01 -0.406443D+02 -0.322294D+01  0.659316D+01
      3  -0.596043D+01  0.117363D+02 -0.405267D+02 -0.696445D+01 -0.965409D+00
      4  -0.733411D+01  0.507107D+01  0.244912D+02  0.140275D+02 -0.322010D+01
      5   0.441273D+01 -0.671117D+01 -0.286414D+02 -0.474363D+01  0.149904D+02
      6   0.125190D+02 -0.110524D+02 -0.491235D+01 -0.347051D+01  0.289861D+01
               121           122           123           124           125 
      1   0.944989D+01  0.572579D+01  0.257799D+00  0.419162D+01  0.777193D+00
      2  -0.264863D+01 -0.174463D+01 -0.469114D+00  0.361089D+00 -0.355267D+00
      3  -0.680126D+01 -0.398116D+01  0.211315D+00 -0.455271D+01 -0.421926D+00
      4   0.145268D+02  0.679596D+01 -0.313598D+01  0.146649D+01 -0.338371D+00
      5  -0.364890D+01 -0.422322D+01  0.182616D+01  0.819566D+01  0.526718D+00
      6  -0.277662D+01 -0.201644D+01  0.322613D+01  0.160530D+01  0.203105D+01
               126           127           128           129           130 
      1   0.492022D+01 -0.527880D+01 -0.845197D+01 -0.288909D+01 -0.742366D+01
      2  -0.333808D+01  0.628195D+01  0.989417D+01  0.202736D+01  0.887004D+01
      3  -0.158213D+01 -0.100315D+01 -0.144220D+01  0.861731D+00 -0.144638D+01
      4   0.127420D+01  0.346129D+01  0.675483D+01  0.144652D+01  0.512416D+01
      5  -0.931381D+00  0.111430D+01  0.129292D+01  0.156528D+01  0.113138D+01
      6   0.297142D-01  0.255460D+01  0.385312D+01  0.268826D+01  0.314841D+01
               131           132           133           134           135 
      1  -0.308675D+02 -0.878676D+01 -0.213808D+01 -0.841302D+01 -0.337488D+01
      2   0.396372D+02  0.777707D+01  0.245153D+01  0.975036D+01  0.333231D+01
      3  -0.876975D+01  0.100969D+01 -0.313440D+00 -0.133734D+01  0.425700D-01
      4  -0.746349D+00 -0.668908D+00  0.137513D+01 -0.176285D+00  0.141034D+01
      5  -0.676552D+00 -0.256792D+00  0.108665D+01  0.607087D+00  0.677279D+00
      6   0.133886D+02  0.921765D+01  0.113103D+01  0.499419D+01  0.375889D+01
               136           137           138           139           140 
      1   0.209670D+02 -0.130011D+02 -0.273050D+01 -0.877464D+01  0.290374D+01
      2  -0.386568D+01 -0.116238D+01  0.102931D+01 -0.593245D+01  0.162565D+02
      3  -0.171014D+02  0.141635D+02  0.170119D+01  0.147071D+02 -0.191603D+02
      4  -0.318595D+02  0.291560D+02  0.458931D+01  0.324349D+02 -0.423934D+02
      5  -0.673658D+01  0.474485D+01  0.647845D+01  0.707659D+01 -0.816800D+01
      6   0.258120D+01 -0.228492D+01 -0.334706D+01 -0.444845D+01  0.613848D+01
               141           142           143           144           145 
      1   0.848142D+00 -0.113451D+01  0.127037D+00 -0.336847D+00  0.969936D+02
      2   0.861541D+00 -0.117671D+01  0.283466D+01  0.988727D+00 -0.544158D+02
      3  -0.170968D+01  0.231122D+01 -0.296170D+01 -0.651880D+00 -0.425778D+02
      4  -0.773222D+01  0.626939D+01 -0.809249D+01 -0.330408D+01  0.126714D+02
      5  -0.668332D+01  0.261941D+01 -0.277961D+01 -0.186440D+01  0.928774D+01
      6   0.623098D+01 -0.198780D+01  0.304749D+01  0.213845D+01 -0.218212D+01
               146           147           148           149           150 
      1   0.815557D+01  0.611052D+01  0.688601D+01  0.932466D+01  0.194023D+01
      2  -0.395293D+01 -0.416416D+01 -0.301035D+01 -0.426364D+01 -0.156061D+01
      3  -0.420264D+01 -0.194636D+01 -0.387566D+01 -0.506102D+01 -0.379623D+00
      4   0.961547D+01  0.453812D+00  0.151005D+02  0.405294D+01  0.134821D+01
      5   0.410508D+00  0.109524D+02  0.367255D+01  0.146761D+01  0.148608D+01
      6   0.247639D+00  0.577202D+00  0.785390D+00 -0.174504D+00  0.148706D+01
               151           152           153           154           155 
      1   0.771361D+01  0.221547D+01  0.341203D+01  0.536129D+01  0.441588D+01
      2  -0.432890D+01 -0.125764D+01 -0.232572D+01  0.292120D+01  0.490360D+01
      3  -0.338471D+01 -0.957834D+00 -0.108631D+01 -0.828248D+01 -0.931948D+01
      4   0.407344D+01  0.154402D+01  0.840679D+00  0.182526D+02  0.223459D+02
      5   0.358103D+01  0.563648D+00  0.154934D+01  0.472849D+01  0.525919D+01
      6   0.171275D+00  0.723210D+00  0.393616D+00  0.350688D+01  0.403710D+01
               156           157           158           159           160 
      1   0.104681D+01 -0.731991D+00 -0.151192D+02 -0.376385D+01  0.142377D+00
      2   0.259493D+00  0.105516D+02  0.351125D+02  0.546884D+01  0.206636D+01
      3  -0.130630D+01 -0.981962D+01 -0.199933D+02 -0.170498D+01 -0.220873D+01
      4   0.537168D+01  0.234842D+02  0.445549D+02  0.102399D+02  0.630207D+01
      5   0.501483D+01  0.572248D+01  0.993615D+01  0.695203D+01  0.239343D+01
      6   0.315394D+01  0.561884D+01  0.133426D+02  0.954897D+01  0.238063D+01
               161           162           163           164           165 
      1  -0.327082D+01 -0.235999D+01 -0.291457D+01  0.713224D+01  0.179591D+01
      2   0.734650D+01  0.283563D+01  0.437375D+01 -0.991023D+01 -0.165714D+01
      3  -0.407568D+01 -0.475634D+00 -0.145919D+01  0.277800D+01 -0.138775D+00
      4   0.115005D+02  0.407600D+01 -0.908632D+01  0.756201D+01  0.710041D+00
      5   0.340283D+01  0.272663D+01  0.959491D+00  0.109467D+01  0.222482D+01
      6   0.558499D+01  0.386181D+01  0.245779D+00 -0.181564D+01 -0.283687D+01
               166           167           168           169           170 
      1   0.834005D+01 -0.196401D+02 -0.359251D+01  0.226467D+01 -0.353724D+01
      2  -0.107784D+02  0.261716D+02  0.284354D+01 -0.279407D+01  0.430752D+01
      3   0.243839D+01 -0.653150D+01  0.748968D+00  0.529394D+00 -0.770276D+00
      4   0.727875D+01 -0.793250D+01 -0.101398D+01  0.889087D+00 -0.129385D+01
      5   0.148607D+01 -0.112841D+01 -0.109825D+01  0.176025D+01 -0.755383D+00
      6  -0.270206D+01  0.506634D+01  0.519517D+01 -0.129475D+01  0.237843D+01
               171           172           173           174           175 
      1  -0.599939D+00 -0.299236D+01 -0.245923D+01  0.939057D+01 -0.962423D+00
      2   0.126242D+01 -0.482154D+00  0.292378D+00  0.548178D+00  0.346495D+00
      3  -0.662477D+00  0.347451D+01  0.216685D+01 -0.993875D+01  0.615928D+00
      4  -0.212103D+01  0.280702D+00 -0.172779D+01 -0.877825D-01  0.221652D+01
      5  -0.900908D+00  0.175351D+01  0.112906D+01 -0.397227D+01 -0.498640D+00
      6   0.136995D+01 -0.110047D+01 -0.172539D+01  0.380291D+01 -0.231387D-01
               176           177           178           179           180 
      1  -0.361530D+01  0.467052D+01  0.782352D+01  0.648682D+01 -0.228764D+02
      2   0.148348D+01  0.749209D+00 -0.366666D+01  0.129562D+01 -0.104698D+02
      3   0.213182D+01 -0.541973D+01 -0.415687D+01 -0.778243D+01  0.333462D+02
      4  -0.480588D+01  0.228276D+01 -0.304641D+01  0.396984D+01 -0.723671D+01
      5   0.253303D+01 -0.802460D+01  0.619444D+01 -0.908686D+01  0.295482D+02
      6  -0.320221D+01  0.777334D+01  0.255291D+00  0.766753D+01 -0.154758D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 11:10:26 2021, MaxMem=  5368709120 cpu:           10208.0 elap:            1277.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.43072 -10.33220 -10.30304 -10.29930 -10.29810
 Alpha  occ. eigenvalues --  -10.29771 -10.29734 -10.29315 -10.28820  -0.98975
 Alpha  occ. eigenvalues --   -0.94634  -0.85717  -0.83637  -0.81129  -0.71916
 Alpha  occ. eigenvalues --   -0.69539  -0.65897  -0.60541  -0.57470  -0.57220
 Alpha  occ. eigenvalues --   -0.53780  -0.51890  -0.51739  -0.50254  -0.47320
 Alpha  occ. eigenvalues --   -0.45889  -0.45300  -0.44434  -0.42130  -0.41278
 Alpha  occ. eigenvalues --   -0.33553  -0.32983  -0.31767
 Alpha virt. eigenvalues --    0.05881   0.05901   0.08639   0.10690   0.11568
 Alpha virt. eigenvalues --    0.12221   0.13546   0.13842   0.14775   0.17102
 Alpha virt. eigenvalues --    0.17366   0.18687   0.19459   0.20491   0.21336
 Alpha virt. eigenvalues --    0.22393   0.22689   0.22892   0.23273   0.23842
 Alpha virt. eigenvalues --    0.25624   0.25954   0.26861   0.27394   0.27891
 Alpha virt. eigenvalues --    0.28839   0.29385   0.31393   0.31461   0.32690
 Alpha virt. eigenvalues --    0.32841   0.33092   0.34279   0.35154   0.35253
 Alpha virt. eigenvalues --    0.35653   0.36411   0.37053   0.38248   0.38980
 Alpha virt. eigenvalues --    0.39988   0.40110   0.40816   0.41461   0.41674
 Alpha virt. eigenvalues --    0.41990   0.42546   0.43251   0.43323   0.44294
 Alpha virt. eigenvalues --    0.45625   0.45746   0.46335   0.46971   0.47418
 Alpha virt. eigenvalues --    0.47512   0.47738   0.47942   0.48720   0.49288
 Alpha virt. eigenvalues --    0.49665   0.49763   0.50327   0.50731   0.51305
 Alpha virt. eigenvalues --    0.52267   0.52958   0.53312   0.54798   0.55852
 Alpha virt. eigenvalues --    0.56289   0.56460   0.57087   0.58544   0.59115
 Alpha virt. eigenvalues --    0.59641   0.60812   0.61037   0.61872   0.62901
 Alpha virt. eigenvalues --    0.63317   0.64333   0.65563   0.65759   0.67067
 Alpha virt. eigenvalues --    0.68445   0.68607   0.70143   0.70719   0.70952
 Alpha virt. eigenvalues --    0.71948   0.72017   0.73714   0.75073   0.75851
 Alpha virt. eigenvalues --    0.75992   0.77732   0.78148   0.80134   0.80539
 Alpha virt. eigenvalues --    0.82871   0.83426   0.84214   0.84977   0.86148
 Alpha virt. eigenvalues --    0.87656   0.90230   0.91519   0.91969   0.94473
 Alpha virt. eigenvalues --    0.96050   0.97266   1.01262   1.03213   1.04702
 Alpha virt. eigenvalues --    1.05257   1.06122   1.06743   1.07807   1.08254
 Alpha virt. eigenvalues --    1.08753   1.09659   1.11742   1.12409   1.13225
 Alpha virt. eigenvalues --    1.15194   1.17077   1.17776   1.20624   1.20945
 Alpha virt. eigenvalues --    1.22498   1.23714   1.25133   1.26113   1.27420
 Alpha virt. eigenvalues --    1.29190   1.29430   1.31794   1.32663   1.34333
 Alpha virt. eigenvalues --    1.36346   1.37470   1.39060   1.40997   1.43666
 Alpha virt. eigenvalues --    1.44432   1.47029   1.48057   1.51239   1.52015
 Alpha virt. eigenvalues --    1.55780   1.58509   1.59882   1.63949   1.66711
 Alpha virt. eigenvalues --    1.67367   1.68151   1.70577   1.71756   1.72455
 Alpha virt. eigenvalues --    1.75069   1.77600   1.79126   1.81272   1.83014
 Alpha virt. eigenvalues --    1.85275   1.88906   1.90658   1.91761   1.94037
 Alpha virt. eigenvalues --    1.95533   1.97121   1.98076   1.99209   2.02243
 Alpha virt. eigenvalues --    2.03523   2.04543   2.05819   2.08210   2.10315
 Alpha virt. eigenvalues --    2.11573   2.12632   2.14403   2.15030   2.16599
 Alpha virt. eigenvalues --    2.18115   2.19903   2.20415   2.22171   2.25153
 Alpha virt. eigenvalues --    2.27449   2.29753   2.31400   2.33641   2.35319
 Alpha virt. eigenvalues --    2.37141   2.39164   2.43032   2.44833   2.46878
 Alpha virt. eigenvalues --    2.47602   2.50334   2.50878   2.54296   2.55699
 Alpha virt. eigenvalues --    2.57259   2.59209   2.62159   2.65597   2.66319
 Alpha virt. eigenvalues --    2.67526   2.73665   2.78110   2.78864   2.84601
 Alpha virt. eigenvalues --    2.92333   2.93205   2.93899   2.94279   2.96271
 Alpha virt. eigenvalues --    2.99667   3.04246   3.10326   3.12210   3.13429
 Alpha virt. eigenvalues --    3.18524   3.20366   3.22538   3.29345   3.31514
 Alpha virt. eigenvalues --    3.32080   3.43574   3.49582   3.71734   3.80641
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.731587  -0.543491   0.370448  -0.181859   0.524209   0.047548
     2  C   -0.543491   7.455556  -0.676509  -0.017976  -0.090538   0.457657
     3  C    0.370448  -0.676509   9.322119  -0.565851   0.375039  -0.211636
     4  C   -0.181859  -0.017976  -0.565851   7.675760  -0.399310   0.451778
     5  C    0.524209  -0.090538   0.375039  -0.399310   6.408183   0.112221
     6  C    0.047548   0.457657  -0.211636   0.451778   0.112221   6.158978
     7  C    0.014957  -0.361958   0.323133  -0.461124   0.052407   0.048383
     8  N    0.038442  -0.111173  -0.236606   0.009744  -0.000830   0.005337
     9  C   -0.002925  -0.013639   0.022079  -0.006163   0.001644   0.002246
    10  H   -0.003244   0.042177   0.026046   0.013587   0.000089  -0.000484
    11  H    0.001430   0.060359  -0.102666  -0.100027   0.017101   0.001257
    12  H   -0.001037   0.024123  -0.092604   0.007544   0.000989  -0.000306
    13  H   -0.001598  -0.002221  -0.044120   0.016589  -0.002489  -0.000365
    14  H   -0.000290  -0.005536   0.012031  -0.004938  -0.000155  -0.000057
    15  H    0.174306   0.084166  -0.950757   0.338537  -0.480601  -0.082248
    16  H   -0.059836   0.123879   0.044555  -0.400094   0.047919  -0.396230
    17  H   -0.314388  -0.026392   0.124263  -0.026915  -0.304602   0.117854
    18  H    0.041812  -0.331390   0.052236   0.150461  -0.081720  -0.436640
    19  H   -0.479669   0.347848  -1.012582   0.058960   0.166605  -0.072610
    20  H    0.000782  -0.066540   0.099292  -0.028439  -0.001685   0.000063
               7          8          9         10         11         12
     1  C    0.014957   0.038442  -0.002925  -0.003244   0.001430  -0.001037
     2  C   -0.361958  -0.111173  -0.013639   0.042177   0.060359   0.024123
     3  C    0.323133  -0.236606   0.022079   0.026046  -0.102666  -0.092604
     4  C   -0.461124   0.009744  -0.006163   0.013587  -0.100027   0.007544
     5  C    0.052407  -0.000830   0.001644   0.000089   0.017101   0.000989
     6  C    0.048383   0.005337   0.002246  -0.000484   0.001257  -0.000306
     7  C    5.679418   0.083837   0.367103   0.058528   0.169075   0.116379
     8  N    0.083837   7.816710  -0.004894  -0.172063  -0.085086  -0.007935
     9  C    0.367103  -0.004894   4.215736  -0.034015  -0.015499   0.305774
    10  H    0.058528  -0.172063  -0.034015   0.968065   0.041511   0.002891
    11  H    0.169075  -0.085086  -0.015499   0.041511   1.067137  -0.005375
    12  H    0.116379  -0.007935   0.305774   0.002891  -0.005375   0.687167
    13  H    0.053962   0.027705   0.260981   0.000221  -0.011585  -0.017912
    14  H    0.073418  -0.026197   0.276977  -0.010924   0.019329  -0.026883
    15  H   -0.298809  -0.005900  -0.011110   0.003529  -0.004027   0.004387
    16  H    0.017122   0.000299   0.000283  -0.000046  -0.001848  -0.000006
    17  H   -0.004057  -0.000314  -0.000142   0.000016  -0.000013   0.000032
    18  H   -0.003573   0.002635   0.000575  -0.000320   0.000021  -0.001232
    19  H   -0.136715  -0.121056   0.001698   0.020485   0.008199   0.017690
    20  H    0.167684  -0.123886   0.007103  -0.023632   0.002744  -0.005638
              13         14         15         16         17         18
     1  C   -0.001598  -0.000290   0.174306  -0.059836  -0.314388   0.041812
     2  C   -0.002221  -0.005536   0.084166   0.123879  -0.026392  -0.331390
     3  C   -0.044120   0.012031  -0.950757   0.044555   0.124263   0.052236
     4  C    0.016589  -0.004938   0.338537  -0.400094  -0.026915   0.150461
     5  C   -0.002489  -0.000155  -0.480601   0.047919  -0.304602  -0.081720
     6  C   -0.000365  -0.000057  -0.082248  -0.396230   0.117854  -0.436640
     7  C    0.053962   0.073418  -0.298809   0.017122  -0.004057  -0.003573
     8  N    0.027705  -0.026197  -0.005900   0.000299  -0.000314   0.002635
     9  C    0.260981   0.276977  -0.011110   0.000283  -0.000142   0.000575
    10  H    0.000221  -0.010924   0.003529  -0.000046   0.000016  -0.000320
    11  H   -0.011585   0.019329  -0.004027  -0.001848  -0.000013   0.000021
    12  H   -0.017912  -0.026883   0.004387  -0.000006   0.000032  -0.001232
    13  H    0.740300  -0.022240   0.014597  -0.000968   0.000022   0.000334
    14  H   -0.022240   0.636759  -0.002213   0.000029   0.000000   0.000011
    15  H    0.014597  -0.002213   2.224754  -0.552863   0.058599  -0.019356
    16  H   -0.000968   0.000029  -0.552863   2.253699  -0.507196   0.060590
    17  H    0.000022   0.000000   0.058599  -0.507196   2.006694  -0.504407
    18  H    0.000334   0.000011  -0.019356   0.060590  -0.504407   2.255599
    19  H   -0.003169  -0.001729   0.047223  -0.017388   0.053602  -0.488949
    20  H   -0.005115   0.009289  -0.007794   0.000222  -0.000060   0.000890
              19         20
     1  C   -0.479669   0.000782
     2  C    0.347848  -0.066540
     3  C   -1.012582   0.099292
     4  C    0.058960  -0.028439
     5  C    0.166605  -0.001685
     6  C   -0.072610   0.000063
     7  C   -0.136715   0.167684
     8  N   -0.121056  -0.123886
     9  C    0.001698   0.007103
    10  H    0.020485  -0.023632
    11  H    0.008199   0.002744
    12  H    0.017690  -0.005638
    13  H   -0.003169  -0.005115
    14  H   -0.001729   0.009289
    15  H    0.047223  -0.007794
    16  H   -0.017388   0.000222
    17  H    0.053602  -0.000060
    18  H   -0.488949   0.000890
    19  H    2.160946  -0.037857
    20  H   -0.037857   0.969479
 Mulliken charges:
               1
     1  C   -0.357186
     2  C   -0.348400
     3  C   -0.877911
     4  C   -0.530261
     5  C   -0.344475
     6  C   -0.202750
     7  C    0.040829
     8  N   -0.088772
     9  C    0.626189
    10  H    0.067584
    11  H   -0.062038
    12  H   -0.008049
    13  H   -0.002928
    14  H    0.073318
    15  H    0.465579
    16  H    0.387878
    17  H    0.327406
    18  H    0.302423
    19  H    0.488469
    20  H    0.043095
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.054763
     2  C    0.140069
     3  C   -0.877911
     4  C   -0.064682
     5  C    0.043403
     6  C    0.124656
     7  C   -0.021209
     8  N    0.021907
     9  C    0.688531
 Electronic spatial extent (au):  <R**2>=           1286.1125
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.6930    Y=             -0.8482    Z=             -0.6572  Tot=              1.2773
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -48.7350   YY=            -53.8413   ZZ=            -55.8613
   XY=              1.7385   XZ=              2.2954   YZ=              0.9140
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              4.0775   YY=             -1.0288   ZZ=             -3.0487
   XY=              1.7385   XZ=              2.2954   YZ=              0.9140
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -10.8405  YYY=             -2.2972  ZZZ=             -6.8722  XYY=              6.1311
  XXY=             -2.2553  XXZ=             -5.5354  XZZ=            -11.6899  YZZ=              3.0855
  YYZ=             -0.4766  XYZ=              3.9178
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1079.8135 YYYY=           -351.9594 ZZZZ=           -190.9856 XXXY=             -3.8597
 XXXZ=             30.9991 YYYX=              5.6205 YYYZ=              9.1124 ZZZX=             15.0395
 ZZZY=             -8.9098 XXYY=           -261.0339 XXZZ=           -237.4847 YYZZ=            -92.4334
 XXYZ=              1.3183 YYXZ=              3.0106 ZZXY=             -6.4686
 N-N= 4.257337017677D+02 E-N=-1.697955185979D+03  KE= 3.615727114209D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 11:10:27 2021, MaxMem=  5368709120 cpu:               2.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.81616381D-01-3.09909963D-01-2.76521489D-01
 Polarizability= 1.26371264D+02 4.02624642D-01 1.00539729D+02
                 1.05229610D+00 5.47513741D+00 7.12755021D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.6117   -0.6123        0.1217    0.1179
 2      0.6117    0.6123       -2.8980   -2.8972      -13.0043  -13.0060
 3     -0.1217   -0.1179       27.6889   27.6894        2.8978    2.8972
 4      2.8980    2.8972        0.0000    0.0000       -0.1204   -0.1179
 5    -14.6846  -14.6834        0.1204    0.1179       -0.6126   -0.6123
 6     -2.8978   -2.8972        0.6126    0.6123       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.8369    1.8369        0.3538    0.3538
 2      8.6916    8.6916       -0.0000    0.0000        0.3538    0.3538
 3      8.6916    8.6916        1.8369    1.8369        0.0000    0.0000
 4      1.8369    1.8369       -8.6916   -8.6916      -39.0181  -39.0181
 5     -0.3538   -0.3538       83.0683   83.0683        8.6916    8.6916
 6    -44.0502  -44.0502        0.3538    0.3538       -1.8369   -1.8369
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1511    0.0000        2.2718    2.4491        0.0249   -0.4717
 2     -2.5478   -2.4491       11.6012   11.5888       52.0461   52.0242
 3      0.2696    0.4717     -110.8335 -110.7578      -11.1752  -11.5888
 4    -11.8695  -11.5888        0.0723    0.0000        0.4652    0.4717
 5     58.4801   58.7336       -0.5667   -0.4717        2.3300    2.4491
 6     11.6849   11.5888       -2.4783   -2.4491        0.1160    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2567    0.0000       -2.6014   -2.7280       -6.6486   -6.1466
 2      2.8291    2.7280      -44.5037  -44.5669      -32.3823  -31.7905
 3      5.9478    6.1466      -24.2519  -23.3095       45.7417   44.5669
 4     44.5372   44.5669        0.0242    0.0000        6.2778    6.1466
 5     55.6500   55.1000       -6.6414   -6.1466       -2.5389   -2.7280
 6    -44.8086  -44.5669        2.5606    2.7280        0.2373    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     30.9084   31.1826        2.1214    2.1698       14.8920   14.2559
 2     96.6854   96.6437       -2.6494   -2.8041       14.5600   14.2559
 3     96.6027   96.6437        2.2729    2.1698       11.2082   10.7101
 4      4.8324    4.9739      -65.4930  -65.4612      -38.0644  -37.9679
 5     -3.4926   -3.5458      -45.1581  -44.7093       65.8457   65.4612
 6     83.2700   82.6771        2.7696    3.5458       -3.7461   -4.9739
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.8196   -4.9323   -0.0007   -0.0005   -0.0004    1.7214
 Low frequencies ---   43.8680  127.6567  215.2272
 Diagonal vibrational polarizability:
       18.3534058       8.4396374      12.7888768
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     43.8646               127.6567               215.2272
 Red. masses --      3.2047                 3.1311                 1.9465
 Frc consts  --      0.0036                 0.0301                 0.0531
 IR Inten    --      0.4220                 2.1227                 0.8102
 RamAct Fr= 1--      3.8705                 4.1925                 0.2043
  Dep-P Fr= 1--      0.7498                 0.7467                 0.4715
  Dep-U Fr= 1--      0.8570                 0.8550                 0.6408
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0011
 Beta2  Fr= 1--      0.5529                 0.5974                 0.0218
 AlphaG Fr= 1--     -0.0001                 0.0011                -0.0017
 Gamma2 Fr= 1--     -0.5085                -0.3792                -0.0540
 Delta2 Fr= 1--     -0.7662                -0.0401                -0.1014
 Raman1 Fr= 1--      15.482                 16.770                  0.817
 ROA1   Fr= 1--     -73.340                -37.686                 -8.430
 CID1   Fr= 1--      -4.737                 -2.247                -10.315
 Raman2 Fr= 1--       6.634                  7.169                  0.262
 ROA2   Fr= 1--      -6.075                 -8.781                 -0.486
 CID2   Fr= 1--      -0.916                 -1.225                 -1.854
 Raman3 Fr= 1--      13.269                 14.338                  0.524
 ROA3   Fr= 1--     -73.340                -37.686                 -8.430
 CID3   Fr= 1--      -5.527                 -2.628                -16.095
 RC180  Fr= 1--       0.714                  0.710                  0.282
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.13    -0.02  -0.03   0.08    -0.11   0.01  -0.01
     2   6    -0.02  -0.06   0.16    -0.01   0.02  -0.11    -0.08  -0.08  -0.04
     3   6    -0.00  -0.03   0.04    -0.00   0.04  -0.17    -0.01  -0.11  -0.05
     4   6     0.02   0.02  -0.12    -0.01   0.03  -0.14     0.04  -0.07  -0.03
     5   6     0.02   0.04  -0.16    -0.02  -0.02   0.05     0.03   0.02   0.01
     6   6    -0.00   0.01  -0.03    -0.03  -0.06   0.19    -0.05   0.06   0.02
     7   6    -0.00  -0.04   0.06    -0.00   0.01  -0.04    -0.01  -0.02  -0.01
     8   7     0.04  -0.13  -0.15    -0.13  -0.04  -0.00     0.11   0.08   0.04
     9   6    -0.03   0.21   0.08     0.22   0.06   0.07     0.05   0.06   0.03
    10   1     0.04  -0.13  -0.19    -0.14  -0.05   0.22     0.10   0.15  -0.05
    11   1    -0.00  -0.13   0.21    -0.05  -0.03   0.03    -0.14   0.00  -0.02
    12   1    -0.03   0.32  -0.06     0.28   0.11  -0.02     0.49  -0.09   0.12
    13   1    -0.06   0.29   0.24     0.35   0.12   0.05    -0.26  -0.19  -0.13
    14   1    -0.03   0.22   0.09     0.22   0.00   0.26    -0.03   0.52   0.14
    15   1     0.03   0.04  -0.21    -0.01   0.04  -0.19     0.10  -0.10  -0.02
    16   1     0.04   0.08  -0.28    -0.03  -0.04   0.10     0.09   0.06   0.04
    17   1    -0.00   0.03  -0.06    -0.04  -0.11   0.37    -0.06   0.11   0.05
    18   1    -0.04  -0.05   0.23    -0.02  -0.05   0.17    -0.17   0.04  -0.00
    19   1    -0.04  -0.09   0.27    -0.00   0.03  -0.15    -0.15  -0.13  -0.06
    20   1     0.09  -0.27  -0.16    -0.33  -0.11  -0.08     0.20   0.14   0.09
                      4                      5                      6
                      A                      A                      A
 Frequencies --    256.6705               283.4791               309.1102
 Red. masses --      1.3623                 1.1682                 3.0174
 Frc consts  --      0.0529                 0.0553                 0.1699
 IR Inten    --     14.6442                21.7654                 2.4705
 RamAct Fr= 1--      0.1913                 1.2376                 0.9491
  Dep-P Fr= 1--      0.5750                 0.4534                 0.1943
  Dep-U Fr= 1--      0.7302                 0.6239                 0.3253
 Alpha2 Fr= 1--      0.0006                 0.0075                 0.0131
 Beta2  Fr= 1--      0.0233                 0.1287                 0.0515
 AlphaG Fr= 1--     -0.0025                -0.0027                -0.0019
 Gamma2 Fr= 1--     -0.0185                 0.0354                -0.4690
 Delta2 Fr= 1--      0.0366                -0.0547                -0.0651
 Raman1 Fr= 1--       0.765                  4.951                  3.797
 ROA1   Fr= 1--      -0.604                  1.646                -47.108
 CID1   Fr= 1--      -0.789                  0.332                -12.408
 Raman2 Fr= 1--       0.279                  1.544                  0.618
 ROA2   Fr= 1--      -0.737                  1.286                -10.735
 CID2   Fr= 1--      -2.639                  0.833                -17.383
 Raman3 Fr= 1--       0.559                  3.089                  1.235
 ROA3   Fr= 1--      -0.604                  1.646                -47.108
 CID3   Fr= 1--      -1.081                  0.533                -38.141
 RC180  Fr= 1--       0.460                  0.248                 -0.349
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.00  -0.00     0.03  -0.00   0.01    -0.04  -0.01   0.05
     2   6    -0.04  -0.05  -0.02     0.03  -0.01   0.01    -0.05  -0.01   0.16
     3   6     0.01  -0.07  -0.02     0.02  -0.00   0.01    -0.02   0.02   0.03
     4   6     0.04  -0.05  -0.00     0.03   0.00   0.01    -0.07  -0.04   0.16
     5   6     0.03   0.01   0.00     0.03   0.01  -0.00    -0.07  -0.02   0.03
     6   6    -0.01   0.03   0.00     0.04   0.01  -0.01    -0.05   0.02  -0.16
     7   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.01     0.02   0.04  -0.11
     8   7     0.07   0.07   0.04    -0.05  -0.02  -0.00     0.02   0.03  -0.11
     9   6    -0.02   0.03  -0.02    -0.06   0.02  -0.04     0.22  -0.02  -0.04
    10   1     0.02   0.30   0.39    -0.10   0.17   0.53    -0.01   0.14   0.13
    11   1    -0.07   0.02  -0.03     0.00  -0.00  -0.01     0.02   0.04  -0.11
    12   1    -0.39   0.23  -0.19     0.16  -0.10   0.07     0.35  -0.06  -0.03
    13   1     0.27   0.31   0.20    -0.30  -0.15  -0.12     0.37  -0.02  -0.19
    14   1     0.05  -0.39  -0.06    -0.11   0.31  -0.07     0.21  -0.06   0.19
    15   1     0.07  -0.07  -0.00     0.04  -0.00   0.01    -0.11  -0.04   0.25
    16   1     0.07   0.04   0.00     0.03   0.01  -0.01    -0.07  -0.03   0.03
    17   1    -0.02   0.07   0.00     0.04   0.01  -0.02    -0.04   0.06  -0.37
    18   1    -0.09   0.01   0.00     0.03   0.00   0.01    -0.02  -0.02   0.06
    19   1    -0.07  -0.08  -0.05     0.03  -0.00  -0.01    -0.06  -0.04   0.24
    20   1    -0.21  -0.12  -0.09    -0.49  -0.30  -0.21    -0.18  -0.14  -0.21
                      7                      8                      9
                      A                      A                      A
 Frequencies --    368.5042               416.7400               483.8809
 Red. masses --      2.8724                 2.9574                 3.1929
 Frc consts  --      0.2298                 0.3026                 0.4405
 IR Inten    --     10.5867                 0.0593                 3.4040
 RamAct Fr= 1--      0.9354                 0.0267                 2.9456
  Dep-P Fr= 1--      0.3031                 0.3592                 0.1015
  Dep-U Fr= 1--      0.4652                 0.5286                 0.1843
 Alpha2 Fr= 1--      0.0095                 0.0002                 0.0514
 Beta2  Fr= 1--      0.0725                 0.0024                 0.0905
 AlphaG Fr= 1--     -0.0004                -0.0039                -0.0026
 Gamma2 Fr= 1--      0.5008                -0.2430                 0.1359
 Delta2 Fr= 1--      0.1230                -0.0414                -0.0646
 Raman1 Fr= 1--       3.741                  0.107                 11.782
 ROA1   Fr= 1--      52.015                -24.650                 10.981
 CID1   Fr= 1--      13.902               -230.549                  0.932
 Raman2 Fr= 1--       0.870                  0.028                  1.086
 ROA2   Fr= 1--      11.035                 -5.501                  3.779
 CID2   Fr= 1--      12.679               -194.663                  3.481
 Raman3 Fr= 1--       1.741                  0.057                  2.171
 ROA3   Fr= 1--      52.015                -24.650                 10.981
 CID3   Fr= 1--      29.882               -436.152                  5.057
 RC180  Fr= 1--      -0.070                  0.057                 -0.631
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03  -0.03     0.01   0.05  -0.20    -0.04   0.03   0.02
     2   6    -0.02   0.10  -0.06    -0.02  -0.05   0.21    -0.04   0.10   0.01
     3   6    -0.01   0.06   0.06     0.00  -0.00   0.01     0.06   0.06  -0.00
     4   6    -0.09   0.06  -0.06     0.01   0.05  -0.21    -0.06   0.00   0.01
     5   6    -0.10  -0.00  -0.05    -0.02  -0.05   0.20    -0.08  -0.05  -0.01
     6   6    -0.09  -0.04   0.07    -0.01  -0.00   0.00    -0.12  -0.03  -0.03
     7   6     0.04  -0.01   0.09     0.01  -0.00  -0.00     0.18  -0.11  -0.06
     8   7     0.24  -0.02  -0.09     0.01  -0.00  -0.00     0.07  -0.13   0.19
     9   6     0.01  -0.11   0.07     0.00   0.00  -0.00     0.03   0.10  -0.15
    10   1     0.18   0.36   0.25     0.00   0.03   0.06     0.08  -0.17   0.27
    11   1     0.07  -0.04   0.12     0.02  -0.01   0.00     0.26  -0.11  -0.09
    12   1     0.02  -0.22   0.22    -0.00   0.01  -0.01     0.04   0.25  -0.36
    13   1     0.01  -0.18  -0.06     0.00   0.01   0.00    -0.21   0.14   0.16
    14   1     0.01  -0.12   0.05     0.00   0.00  -0.01     0.01   0.29  -0.32
    15   1    -0.15   0.10  -0.12     0.02   0.11  -0.44    -0.17   0.05   0.03
    16   1    -0.11   0.00  -0.11    -0.03  -0.11   0.43    -0.07  -0.04  -0.00
    17   1    -0.09  -0.10   0.16    -0.01  -0.00   0.01    -0.12  -0.05  -0.06
    18   1     0.04   0.02  -0.07     0.03   0.11  -0.44     0.05  -0.02   0.04
    19   1    -0.01   0.12  -0.16    -0.03  -0.10   0.43    -0.07   0.07   0.02
    20   1     0.03  -0.48  -0.23    -0.04  -0.04  -0.02    -0.01   0.20   0.21
                     10                     11                     12
                      A                      A                      A
 Frequencies --    549.3697               600.3454               638.3303
 Red. masses --      3.0269                 3.1719                 6.3917
 Frc consts  --      0.5382                 0.6736                 1.5345
 IR Inten    --     14.2941                14.8649                 0.1232
 RamAct Fr= 1--      0.4272                 1.1227                 4.3852
  Dep-P Fr= 1--      0.2597                 0.6652                 0.7411
  Dep-U Fr= 1--      0.4123                 0.7989                 0.8513
 Alpha2 Fr= 1--      0.0049                 0.0017                 0.0007
 Beta2  Fr= 1--      0.0294                 0.1495                 0.6222
 AlphaG Fr= 1--     -0.0018                 0.0021                -0.0036
 Gamma2 Fr= 1--      0.0874                -0.0003                -0.0171
 Delta2 Fr= 1--     -0.0058                -0.1248                -0.0264
 Raman1 Fr= 1--       1.709                  4.491                 17.541
 ROA1   Fr= 1--       8.208                 -4.025                 -2.488
 CID1   Fr= 1--       4.803                 -0.896                 -0.142
 Raman2 Fr= 1--       0.352                  1.794                  7.466
 ROA2   Fr= 1--       2.144                  0.990                 -0.200
 CID2   Fr= 1--       6.087                  0.552                 -0.027
 Raman3 Fr= 1--       0.705                  3.588                 14.933
 ROA3   Fr= 1--       8.208                 -4.025                 -2.488
 CID3   Fr= 1--      11.649                 -1.122                 -0.167
 RC180  Fr= 1--      -0.175                  0.598                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.13    -0.07   0.07   0.03    -0.22  -0.26  -0.07
     2   6    -0.02  -0.02   0.04    -0.02   0.02  -0.01    -0.26   0.18   0.02
     3   6     0.00  -0.08   0.27     0.16  -0.02  -0.02    -0.01   0.13   0.03
     4   6     0.01  -0.04   0.05     0.04  -0.16  -0.05     0.21   0.22   0.06
     5   6     0.02   0.02  -0.14     0.02  -0.10  -0.01     0.29  -0.21  -0.03
     6   6    -0.03  -0.05   0.18    -0.16   0.01  -0.03     0.01  -0.14  -0.04
     7   6     0.02   0.03  -0.05     0.17   0.20   0.12     0.00   0.01   0.01
     8   7    -0.08   0.03  -0.01    -0.08   0.05  -0.05    -0.01   0.04  -0.01
     9   6     0.07   0.03  -0.08    -0.01   0.00   0.02    -0.01  -0.00   0.02
    10   1    -0.05  -0.14  -0.02    -0.02  -0.43  -0.10    -0.00   0.01  -0.03
    11   1     0.09   0.07  -0.12     0.14   0.18   0.16     0.03   0.02   0.01
    12   1     0.15   0.06  -0.14    -0.26  -0.17   0.33    -0.01  -0.02   0.05
    13   1     0.14   0.06  -0.09    -0.09  -0.12  -0.12    -0.00  -0.01   0.00
    14   1     0.07   0.03   0.05     0.03  -0.08  -0.32    -0.01  -0.01   0.02
    15   1     0.02   0.04  -0.24    -0.04  -0.13  -0.00     0.06   0.28   0.08
    16   1     0.06   0.12  -0.48     0.17   0.00   0.07     0.16  -0.31  -0.03
    17   1    -0.03  -0.04   0.21    -0.16   0.04  -0.01    -0.04   0.28   0.06
    18   1     0.01   0.11  -0.48    -0.00   0.03   0.08    -0.06  -0.33  -0.06
    19   1    -0.02   0.03  -0.25    -0.17  -0.11  -0.01    -0.14   0.26   0.06
    20   1    -0.11   0.11  -0.02    -0.15  -0.15  -0.11    -0.01  -0.01  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    716.6841               768.9730               779.6976
 Red. masses --      1.7146                 3.2334                 1.9162
 Frc consts  --      0.5189                 1.1265                 0.6864
 IR Inten    --     44.9095                 9.0837                26.8328
 RamAct Fr= 1--      0.0922                15.8388                 1.1165
  Dep-P Fr= 1--      0.1001                 0.0244                 0.7462
  Dep-U Fr= 1--      0.1820                 0.0476                 0.8547
 Alpha2 Fr= 1--      0.0016                 0.3324                 0.0001
 Beta2  Fr= 1--      0.0028                 0.1257                 0.1590
 AlphaG Fr= 1--     -0.0031                -0.0328                 0.0007
 Gamma2 Fr= 1--     -0.0182                 0.4842                 0.3350
 Delta2 Fr= 1--      0.0102                 0.3082                -0.0253
 Raman1 Fr= 1--       0.369                 63.355                  4.466
 ROA1   Fr= 1--      -1.420                 56.344                 31.353
 CID1   Fr= 1--      -3.850                  0.889                  7.020
 Raman2 Fr= 1--       0.034                  1.508                  1.909
 ROA2   Fr= 1--      -0.518                  9.154                  8.243
 CID2   Fr= 1--     -15.425                  6.070                  4.319
 Raman3 Fr= 1--       0.067                  3.016                  3.817
 ROA3   Fr= 1--      -1.420                 56.344                 31.353
 CID3   Fr= 1--     -21.149                 18.681                  8.214
 RC180  Fr= 1--      -0.636                 -0.905                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.14     0.07   0.18   0.04     0.01   0.01   0.02
     2   6    -0.01  -0.02   0.07     0.04   0.16   0.06     0.01   0.03  -0.08
     3   6     0.01   0.02  -0.09     0.10   0.02  -0.03    -0.00  -0.05   0.21
     4   6    -0.00  -0.01   0.07     0.07  -0.12  -0.01     0.01   0.01  -0.09
     5   6     0.01   0.04  -0.14     0.09  -0.14  -0.04     0.01  -0.02   0.00
     6   6    -0.00  -0.02   0.06    -0.15  -0.03   0.01    -0.01   0.03  -0.13
     7   6     0.00  -0.00   0.00    -0.13  -0.11  -0.09    -0.02  -0.02  -0.01
     8   7     0.01  -0.00   0.00    -0.03   0.00  -0.04    -0.02   0.02  -0.01
     9   6    -0.00   0.00  -0.00    -0.08  -0.04   0.08     0.01  -0.00  -0.03
    10   1     0.00   0.01   0.02    -0.08   0.45   0.01    -0.02  -0.01  -0.01
    11   1    -0.02  -0.00   0.01    -0.10  -0.08  -0.12     0.04   0.02  -0.08
    12   1    -0.03  -0.01   0.02     0.14   0.06  -0.12     0.12   0.04  -0.11
    13   1    -0.02  -0.01   0.00     0.03   0.05   0.16     0.08   0.04  -0.02
    14   1     0.00  -0.00  -0.03    -0.11   0.00   0.41    -0.01   0.01   0.14
    15   1    -0.03  -0.12   0.50    -0.04  -0.07  -0.02    -0.00  -0.02   0.03
    16   1    -0.02  -0.06   0.23     0.26   0.00  -0.08    -0.01  -0.13   0.53
    17   1    -0.04  -0.14   0.56    -0.14  -0.03  -0.09    -0.05  -0.14   0.52
    18   1    -0.01  -0.05   0.20     0.31   0.10  -0.06    -0.01  -0.11   0.49
    19   1    -0.02  -0.10   0.46    -0.05   0.10   0.02    -0.00   0.01  -0.02
    20   1    -0.00  -0.02  -0.01     0.07   0.27   0.04    -0.03   0.01  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    842.9749               864.3076               921.9632
 Red. masses --      1.3856                 1.2554                 2.0579
 Frc consts  --      0.5801                 0.5525                 1.0306
 IR Inten    --     95.5088                 3.2954                 3.0032
 RamAct Fr= 1--      1.4632                 1.4029                 4.8826
  Dep-P Fr= 1--      0.7420                 0.7433                 0.6271
  Dep-U Fr= 1--      0.8519                 0.8527                 0.7708
 Alpha2 Fr= 1--      0.0002                 0.0002                 0.0109
 Beta2  Fr= 1--      0.2077                 0.1994                 0.6272
 AlphaG Fr= 1--     -0.0014                 0.0005                -0.0008
 Gamma2 Fr= 1--     -1.0102                 0.8619                 0.4249
 Delta2 Fr= 1--     -0.5108                 0.6880                -0.5411
 Raman1 Fr= 1--       5.853                  5.612                 19.530
 ROA1   Fr= 1--    -113.327                104.759                 23.473
 CID1   Fr= 1--     -19.362                 18.668                  1.202
 Raman2 Fr= 1--       2.493                  2.393                  7.527
 ROA2   Fr= 1--     -20.158                 15.182                 14.525
 CID2   Fr= 1--      -8.086                  6.345                  1.930
 Raman3 Fr= 1--       4.986                  4.785                 15.054
 ROA3   Fr= 1--    -113.327                104.759                 23.473
 CID3   Fr= 1--     -22.729                 21.892                  1.559
 RC180  Fr= 1--       0.704                  0.705                  0.542
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.02     0.01   0.02  -0.08    -0.03  -0.05  -0.00
     2   6    -0.00  -0.02  -0.02     0.00   0.02  -0.05    -0.01  -0.04   0.03
     3   6     0.00  -0.00   0.02    -0.00   0.00  -0.01     0.04   0.01  -0.02
     4   6    -0.00  -0.01   0.01    -0.00  -0.02   0.07    -0.01   0.01   0.06
     5   6     0.01  -0.00   0.01    -0.01  -0.02   0.07    -0.05   0.05  -0.01
     6   6     0.00   0.01  -0.01    -0.00   0.00  -0.01     0.02   0.01  -0.05
     7   6    -0.01   0.08   0.01     0.00  -0.02  -0.00     0.14  -0.03  -0.09
     8   7    -0.01  -0.13  -0.03     0.00   0.03   0.01    -0.03   0.05  -0.09
     9   6     0.01   0.05  -0.01    -0.00  -0.01   0.01    -0.03  -0.08   0.16
    10   1    -0.06   0.47   0.25     0.01  -0.09  -0.04    -0.04   0.11   0.11
    11   1     0.05  -0.07   0.21    -0.01   0.01  -0.04     0.24   0.00  -0.15
    12   1    -0.10  -0.11   0.24     0.02   0.02  -0.05    -0.07   0.07  -0.02
    13   1     0.09  -0.05  -0.26    -0.02   0.01   0.06    -0.26  -0.02   0.49
    14   1     0.04  -0.11  -0.10    -0.01   0.03   0.02    -0.05   0.11   0.01
    15   1     0.01   0.03  -0.13     0.03   0.12  -0.48     0.00   0.10  -0.26
    16   1     0.01   0.02  -0.07     0.03   0.12  -0.47    -0.10  -0.01   0.08
    17   1    -0.00   0.01   0.06    -0.01  -0.02   0.07    -0.00  -0.09   0.31
    18   1    -0.04  -0.04   0.12    -0.03  -0.12   0.52    -0.08  -0.01  -0.10
    19   1    -0.02  -0.05   0.08    -0.02  -0.08   0.41    -0.01  -0.00  -0.23
    20   1     0.10   0.60   0.15    -0.03  -0.12  -0.03    -0.13   0.44  -0.05
                     19                     20                     21
                      A                      A                      A
 Frequencies --    934.0109               968.6877               990.1679
 Red. masses --      1.4990                 1.3062                 1.2879
 Frc consts  --      0.7704                 0.7221                 0.7439
 IR Inten    --      4.0049                 0.0239                 1.1194
 RamAct Fr= 1--      1.1179                 0.0286                 0.4913
  Dep-P Fr= 1--      0.5995                 0.2677                 0.2343
  Dep-U Fr= 1--      0.7496                 0.4223                 0.3796
 Alpha2 Fr= 1--      0.0031                 0.0003                 0.0061
 Beta2  Fr= 1--      0.1397                 0.0020                 0.0311
 AlphaG Fr= 1--     -0.0077                 0.0045                -0.0031
 Gamma2 Fr= 1--     -1.3610                 0.2776                 0.3902
 Delta2 Fr= 1--      0.0993                -0.0830                -0.2386
 Raman1 Fr= 1--       4.472                  0.115                  1.965
 ROA1   Fr= 1--    -127.478                 23.992                 29.823
 CID1   Fr= 1--     -28.507                209.483                 15.174
 Raman2 Fr= 1--       1.676                  0.024                  0.373
 ROA2   Fr= 1--     -33.458                  7.325                 11.273
 CID2   Fr= 1--     -19.963                302.899                 30.218
 Raman3 Fr= 1--       3.352                  0.048                  0.746
 ROA3   Fr= 1--    -127.478                 23.992                 29.823
 CID3   Fr= 1--     -38.031                496.034                 39.969
 RC180  Fr= 1--       0.499                 -0.155                 -0.241
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.04    -0.00  -0.00   0.02    -0.01  -0.03   0.10
     2   6    -0.00   0.00   0.07     0.00   0.01  -0.06     0.01   0.02  -0.10
     3   6    -0.02   0.01  -0.08    -0.00  -0.00   0.01     0.00  -0.00   0.02
     4   6    -0.00  -0.03   0.10    -0.00  -0.02   0.08     0.00   0.00   0.00
     5   6     0.02  -0.01  -0.03     0.01   0.03  -0.11    -0.00  -0.00   0.02
     6   6     0.00   0.02  -0.09    -0.01  -0.02   0.06    -0.01   0.01  -0.04
     7   6    -0.05   0.01   0.02     0.00   0.00  -0.00     0.00  -0.00   0.00
     8   7     0.02  -0.02   0.04     0.00   0.00   0.00    -0.00   0.01  -0.01
     9   6     0.01   0.03  -0.04    -0.00   0.00   0.00    -0.00  -0.00  -0.01
    10   1     0.03  -0.06  -0.06     0.01  -0.02   0.00    -0.00   0.00   0.02
    11   1    -0.15  -0.02   0.08     0.01  -0.00  -0.00     0.03   0.00  -0.01
    12   1    -0.03  -0.04   0.06     0.01   0.00  -0.00     0.02   0.01  -0.02
    13   1     0.05  -0.02  -0.16     0.01   0.01  -0.01     0.01   0.01   0.01
    14   1     0.03  -0.05  -0.08    -0.01  -0.00   0.03    -0.01   0.01   0.04
    15   1     0.04   0.12  -0.53     0.03   0.12  -0.49    -0.00  -0.01   0.05
    16   1     0.03  -0.03   0.09    -0.04  -0.16   0.65     0.01   0.04  -0.14
    17   1    -0.04  -0.14   0.55     0.02   0.10  -0.41    -0.03  -0.07   0.29
    18   1     0.06   0.07  -0.23    -0.00   0.00  -0.02     0.03   0.15  -0.62
    19   1     0.03   0.11  -0.34    -0.01  -0.06   0.28    -0.02  -0.15   0.66
    20   1     0.06  -0.21   0.03    -0.01  -0.01  -0.01    -0.02   0.01  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1005.2777              1025.6755              1053.7685
 Red. masses --      1.6119                 6.0827                 2.2093
 Frc consts  --      0.9598                 3.7702                 1.4454
 IR Inten    --      3.0317                 0.0127                 6.1476
 RamAct Fr= 1--      5.9220                49.4032                20.5236
  Dep-P Fr= 1--      0.4306                 0.0505                 0.0488
  Dep-U Fr= 1--      0.6020                 0.0961                 0.0931
 Alpha2 Fr= 1--      0.0392                 0.9747                 0.4065
 Beta2  Fr= 1--      0.5941                 0.7915                 0.3185
 AlphaG Fr= 1--     -0.0177                 0.0399                 0.0039
 Gamma2 Fr= 1--      1.0683                -0.4770                -0.6216
 Delta2 Fr= 1--      0.6702                -0.1543                -0.1147
 Raman1 Fr= 1--      23.688                197.613                 82.094
 ROA1   Fr= 1--     124.001                -50.732                -63.345
 CID1   Fr= 1--       5.235                 -0.257                 -0.772
 Raman2 Fr= 1--       7.130                  9.498                  3.822
 ROA2   Fr= 1--      20.277                -10.214                -14.001
 CID2   Fr= 1--       2.844                 -1.075                 -3.663
 Raman3 Fr= 1--      14.259                 18.997                  7.645
 ROA3   Fr= 1--     124.001                -50.732                -63.345
 CID3   Fr= 1--       8.696                 -2.671                 -8.286
 RC180  Fr= 1--       0.204                 -0.808                 -0.814
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.01    -0.01  -0.04  -0.01     0.00   0.19   0.05
     2   6     0.01  -0.03   0.00    -0.24   0.31   0.05    -0.04  -0.08  -0.03
     3   6     0.02   0.01  -0.02     0.01  -0.01   0.01    -0.03  -0.01   0.00
     4   6     0.00   0.01   0.00    -0.14  -0.34  -0.10    -0.05   0.07   0.01
     5   6    -0.01   0.01   0.00    -0.03   0.04   0.01     0.05  -0.18  -0.04
     6   6    -0.02   0.00  -0.00     0.38   0.04   0.03     0.13   0.01   0.01
     7   6     0.03   0.08  -0.10     0.03   0.01  -0.04     0.02   0.01  -0.02
     8   7     0.07  -0.06   0.04     0.02  -0.01   0.00     0.01  -0.00  -0.00
     9   6    -0.14   0.03   0.04    -0.02   0.01   0.02     0.00  -0.00   0.02
    10   1     0.11  -0.45   0.13     0.03  -0.12   0.05     0.02  -0.07   0.02
    11   1     0.12   0.11  -0.18    -0.03   0.02  -0.03     0.02   0.01  -0.03
    12   1     0.17  -0.07   0.10    -0.01  -0.03   0.07    -0.02  -0.00   0.02
    13   1     0.29   0.08  -0.26     0.02  -0.00  -0.03    -0.02  -0.01   0.03
    14   1    -0.15  -0.14   0.62    -0.02  -0.03   0.06     0.00   0.01  -0.02
    15   1    -0.01   0.02   0.02    -0.11  -0.38  -0.08    -0.37   0.20   0.03
    16   1    -0.01   0.02  -0.02    -0.03   0.02  -0.01    -0.25  -0.41  -0.12
    17   1    -0.02   0.02   0.03     0.40   0.02   0.04     0.14  -0.00   0.01
    18   1    -0.04  -0.01  -0.01     0.00  -0.02  -0.04    -0.34   0.34   0.05
    19   1     0.01  -0.02  -0.04    -0.24   0.31   0.13    -0.33  -0.30  -0.06
    20   1    -0.14   0.06  -0.02    -0.06   0.07  -0.02    -0.03   0.04  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1067.0634              1106.8477              1133.0728
 Red. masses --      1.6760                 1.6605                 2.1414
 Frc consts  --      1.1243                 1.1986                 1.6198
 IR Inten    --     10.7573                 4.6372                12.0688
 RamAct Fr= 1--      3.6847                 5.1246                 3.1433
  Dep-P Fr= 1--      0.1218                 0.1461                 0.5746
  Dep-U Fr= 1--      0.2172                 0.2549                 0.7298
 Alpha2 Fr= 1--      0.0611                 0.0800                 0.0104
 Beta2  Fr= 1--      0.1334                 0.2177                 0.3824
 AlphaG Fr= 1--      0.0015                 0.0360                 0.0440
 Gamma2 Fr= 1--      0.3046                 1.8508                -2.9820
 Delta2 Fr= 1--     -0.4928                 0.5242                -0.7427
 Raman1 Fr= 1--      14.739                 20.498                 12.573
 ROA1   Fr= 1--      13.472                194.454               -310.033
 CID1   Fr= 1--       0.914                  9.486                -24.658
 Raman2 Fr= 1--       1.600                  2.613                  4.588
 ROA2   Fr= 1--      11.252                 40.227                -65.625
 CID2   Fr= 1--       7.031                 15.396                -14.303
 Raman3 Fr= 1--       3.201                  5.226                  9.177
 ROA3   Fr= 1--      13.472                194.454               -310.033
 CID3   Fr= 1--       4.209                 37.212                -33.785
 RC180  Fr= 1--      -0.566                 -0.490                  0.460
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.05   0.01    -0.02  -0.02  -0.01     0.04   0.04   0.01
     2   6    -0.04   0.04  -0.00     0.09  -0.01  -0.00    -0.05   0.01  -0.01
     3   6    -0.03  -0.07   0.02    -0.08   0.01   0.03    -0.08  -0.03   0.03
     4   6     0.04   0.06   0.01    -0.08  -0.04  -0.02     0.05   0.01  -0.00
     5   6    -0.03   0.03   0.01     0.08  -0.05  -0.01     0.01   0.01   0.00
     6   6    -0.02  -0.05  -0.01    -0.03   0.06   0.01    -0.02  -0.04  -0.01
     7   6     0.02  -0.11  -0.10    -0.02  -0.00  -0.10    -0.06   0.19  -0.11
     8   7     0.02   0.06  -0.00     0.03  -0.01   0.01     0.04  -0.12   0.03
     9   6     0.02   0.09   0.06     0.04   0.02   0.07     0.06  -0.06   0.07
    10   1     0.05  -0.31   0.04     0.05  -0.18   0.03     0.05  -0.06   0.05
    11   1    -0.28  -0.21   0.15    -0.14  -0.01  -0.05    -0.14   0.35  -0.34
    12   1    -0.24  -0.15   0.44    -0.18  -0.02   0.18    -0.16   0.10  -0.08
    13   1    -0.02  -0.11  -0.24    -0.14  -0.08   0.06    -0.24  -0.03   0.36
    14   1     0.07  -0.18  -0.22     0.06  -0.01  -0.24     0.04   0.17  -0.24
    15   1     0.21  -0.02   0.05    -0.33   0.04   0.03     0.34  -0.12   0.03
    16   1    -0.11  -0.03  -0.01     0.28   0.08   0.04    -0.01  -0.00   0.00
    17   1     0.01  -0.26  -0.08    -0.08   0.43   0.10     0.01  -0.23  -0.06
    18   1     0.19  -0.02   0.01    -0.16   0.03   0.01     0.23  -0.03   0.00
    19   1    -0.10  -0.01   0.04     0.46   0.26   0.11    -0.16  -0.07   0.03
    20   1    -0.21   0.17  -0.08    -0.08   0.01  -0.03     0.11  -0.17   0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1183.7048              1198.9037              1205.9546
 Red. masses --      1.1191                 1.3368                 1.6553
 Frc consts  --      0.9239                 1.1321                 1.4183
 IR Inten    --      0.2006                 2.0854                 1.7705
 RamAct Fr= 1--      3.9382                 9.6730                 6.8252
  Dep-P Fr= 1--      0.7499                 0.2457                 0.1886
  Dep-U Fr= 1--      0.8571                 0.3945                 0.3174
 Alpha2 Fr= 1--      0.0000                 0.1160                 0.0955
 Beta2  Fr= 1--      0.5626                 0.6360                 0.3610
 AlphaG Fr= 1--     -0.0000                 0.0304                 0.0095
 Gamma2 Fr= 1--      0.0900                 0.9981                -0.2353
 Delta2 Fr= 1--      0.1288                 1.1422                -0.0915
 Raman1 Fr= 1--      15.753                 38.692                 27.301
 ROA1   Fr= 1--      12.762                132.365                -25.521
 CID1   Fr= 1--       0.810                  3.421                 -0.935
 Raman2 Fr= 1--       6.751                  7.632                  4.333
 ROA2   Fr= 1--       1.129                 14.816                 -4.916
 CID2   Fr= 1--       0.167                  1.941                 -1.135
 Raman3 Fr= 1--      13.502                 15.264                  8.665
 ROA3   Fr= 1--      12.762                132.365                -25.521
 CID3   Fr= 1--       0.945                  8.672                 -2.945
 RC180  Fr= 1--       0.714                 -0.211                 -0.365
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.02  -0.00    -0.01   0.05   0.01    -0.07  -0.02  -0.01
     2   6    -0.00  -0.01  -0.00     0.01   0.02   0.01     0.06   0.03   0.01
     3   6     0.01   0.00   0.00    -0.11  -0.01  -0.02     0.15   0.01   0.03
     4   6     0.01  -0.01  -0.00     0.04  -0.02  -0.00     0.05  -0.01  -0.00
     5   6    -0.04  -0.03  -0.01    -0.01  -0.05  -0.01    -0.07   0.01  -0.00
     6   6    -0.01   0.07   0.02    -0.01   0.00  -0.00     0.01   0.00   0.00
     7   6    -0.00  -0.01  -0.01     0.03   0.01   0.06    -0.04  -0.01  -0.08
     8   7    -0.00   0.00   0.00     0.02   0.01  -0.03    -0.03  -0.02   0.04
     9   6     0.00   0.01   0.00    -0.01  -0.03  -0.02     0.01   0.04   0.03
    10   1    -0.00   0.01  -0.01     0.03  -0.14   0.12    -0.05   0.25  -0.17
    11   1    -0.01  -0.01  -0.01     0.09  -0.04   0.13    -0.08   0.05  -0.17
    12   1    -0.01  -0.01   0.03     0.09   0.04  -0.14    -0.11  -0.05   0.18
    13   1    -0.01  -0.01  -0.01     0.04   0.03   0.03    -0.05  -0.04  -0.05
    14   1     0.01  -0.01  -0.01    -0.02   0.04   0.04     0.02  -0.06  -0.05
    15   1     0.13  -0.06  -0.01     0.54  -0.23  -0.03     0.17  -0.05   0.01
    16   1    -0.38  -0.27  -0.09    -0.26  -0.24  -0.08    -0.41  -0.24  -0.09
    17   1    -0.09   0.66   0.16    -0.01   0.02   0.00     0.01  -0.02  -0.00
    18   1     0.44  -0.19  -0.02    -0.23   0.14   0.02    -0.52   0.16   0.00
    19   1    -0.15  -0.12  -0.03     0.40   0.32   0.07     0.19   0.12   0.06
    20   1     0.01  -0.02   0.00    -0.10   0.21  -0.04     0.17  -0.33   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1258.1689              1333.4907              1355.1139
 Red. masses --      1.4603                 2.8708                 1.7307
 Frc consts  --      1.3620                 3.0076                 1.8725
 IR Inten    --      0.5012                 6.5239                 4.6620
 RamAct Fr= 1--     12.8358                 1.3319                 0.4975
  Dep-P Fr= 1--      0.1683                 0.2504                 0.7071
  Dep-U Fr= 1--      0.2881                 0.4005                 0.8284
 Alpha2 Fr= 1--      0.1894                 0.0158                 0.0004
 Beta2  Fr= 1--      0.6163                 0.0889                 0.0687
 AlphaG Fr= 1--     -0.1015                 0.0356                 0.0014
 Gamma2 Fr= 1--     -1.4031                -0.5835                -0.3970
 Delta2 Fr= 1--      0.1767                -0.2137                -0.1504
 Raman1 Fr= 1--      51.343                  5.328                  1.990
 ROA1   Fr= 1--    -129.045                -62.857                -42.924
 CID1   Fr= 1--      -2.513                -11.799                -21.571
 Raman2 Fr= 1--       7.396                  1.067                  0.824
 ROA2   Fr= 1--     -35.088                -12.296                 -8.325
 CID2   Fr= 1--      -4.744                -11.526                -10.100
 Raman3 Fr= 1--      14.792                  2.134                  1.648
 ROA3   Fr= 1--    -129.045                -62.857                -42.924
 CID3   Fr= 1--      -8.724                -29.461                -26.038
 RC180  Fr= 1--      -0.424                 -0.199                  0.657
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.01   0.01     0.12  -0.09  -0.01    -0.06   0.00  -0.00
     2   6    -0.03  -0.04  -0.01    -0.06  -0.07  -0.02     0.13   0.06   0.02
     3   6    -0.11   0.07   0.01     0.04   0.24   0.06     0.01   0.02   0.01
     4   6    -0.00  -0.03  -0.01     0.12  -0.07  -0.01    -0.13   0.03  -0.00
     5   6     0.01  -0.04  -0.01    -0.12  -0.08  -0.03     0.05   0.03   0.01
     6   6    -0.00   0.02   0.00    -0.01   0.11   0.03     0.02  -0.12  -0.03
     7   6     0.05  -0.04  -0.05    -0.13   0.00  -0.03    -0.04   0.01  -0.02
     8   7    -0.04   0.02   0.04     0.06   0.02  -0.00     0.01   0.01   0.01
     9   6    -0.01   0.06   0.03     0.04  -0.03  -0.01     0.01  -0.01  -0.00
    10   1    -0.06   0.29  -0.17     0.08  -0.31   0.08     0.02  -0.08  -0.01
    11   1     0.69  -0.08  -0.16    -0.05  -0.29   0.39     0.12  -0.15   0.17
    12   1    -0.03  -0.07   0.22    -0.08   0.06  -0.11    -0.06   0.01  -0.02
    13   1     0.02  -0.02  -0.13    -0.10  -0.06   0.08    -0.03  -0.01   0.04
    14   1     0.02  -0.11  -0.01     0.01   0.07  -0.04    -0.00   0.05   0.02
    15   1     0.24  -0.14  -0.01     0.12  -0.07  -0.01     0.49  -0.23  -0.02
    16   1     0.19   0.08   0.03     0.21   0.16   0.06     0.17   0.11   0.04
    17   1     0.01  -0.06  -0.01     0.01  -0.07  -0.02    -0.05   0.32   0.08
    18   1     0.03   0.02   0.01    -0.39   0.12   0.00    -0.25   0.08   0.00
    19   1    -0.03  -0.04  -0.01    -0.23  -0.19  -0.06    -0.44  -0.36  -0.10
    20   1     0.15  -0.31   0.05    -0.19   0.18  -0.07    -0.05   0.03  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1369.3149              1402.6143              1406.7730
 Red. masses --      1.3650                 1.5103                 1.2486
 Frc consts  --      1.5080                 1.7506                 1.4558
 IR Inten    --     10.7845                10.7972                10.8510
 RamAct Fr= 1--      8.0648                 3.2351                 0.7061
  Dep-P Fr= 1--      0.3980                 0.2709                 0.7016
  Dep-U Fr= 1--      0.5694                 0.4264                 0.8247
 Alpha2 Fr= 1--      0.0602                 0.0361                 0.0006
 Beta2  Fr= 1--      0.7654                 0.2299                 0.0971
 AlphaG Fr= 1--      0.0136                 0.0563                -0.0012
 Gamma2 Fr= 1--      1.5998                 0.2381                 0.0826
 Delta2 Fr= 1--      0.1452                -0.6720                 0.1242
 Raman1 Fr= 1--      32.259                 12.941                  2.825
 ROA1   Fr= 1--     158.225                  1.352                 11.903
 CID1   Fr= 1--       4.905                  0.104                  4.214
 Raman2 Fr= 1--       9.184                  2.759                  1.165
 ROA2   Fr= 1--      37.234                 11.090                  0.989
 CID2   Fr= 1--       4.054                  4.020                  0.849
 Raman3 Fr= 1--      18.369                  5.517                  2.329
 ROA3   Fr= 1--     158.225                  1.352                 11.903
 CID3   Fr= 1--       8.614                  0.245                  5.110
 RC180  Fr= 1--       0.139                 -0.147                  0.649
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.00    -0.06   0.01  -0.00     0.02  -0.00   0.00
     2   6    -0.01  -0.00  -0.00     0.01  -0.00   0.00    -0.01  -0.00  -0.00
     3   6    -0.00  -0.04   0.01     0.04  -0.03  -0.02    -0.02   0.01   0.00
     4   6     0.00   0.00  -0.00     0.01  -0.02  -0.00    -0.00   0.01   0.00
     5   6     0.02   0.02   0.00     0.04   0.04   0.01    -0.01  -0.02  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6     0.03   0.09  -0.12    -0.16   0.00   0.03     0.05  -0.01   0.01
     8   7    -0.01   0.01   0.04     0.04   0.02  -0.01    -0.01  -0.01  -0.00
     9   6    -0.02  -0.05  -0.01     0.07   0.02  -0.04     0.04   0.02  -0.13
    10   1    -0.02   0.11  -0.12     0.06  -0.22   0.07    -0.01   0.04   0.02
    11   1     0.07  -0.48   0.72     0.69  -0.09  -0.08    -0.23   0.07  -0.02
    12   1     0.00  -0.00  -0.07    -0.28  -0.03   0.12    -0.18  -0.31   0.42
    13   1     0.01   0.05   0.15    -0.24  -0.07   0.10    -0.27   0.17   0.46
    14   1    -0.06   0.11   0.14     0.04   0.02   0.16    -0.01  -0.06   0.52
    15   1    -0.12   0.05   0.02    -0.17   0.05  -0.01     0.07  -0.02  -0.01
    16   1    -0.09  -0.06  -0.02    -0.20  -0.14  -0.05     0.08   0.05   0.02
    17   1     0.01  -0.08  -0.02     0.02  -0.16  -0.04    -0.01   0.05   0.01
    18   1     0.14  -0.05  -0.00     0.17  -0.08  -0.01    -0.05   0.03   0.01
    19   1     0.10   0.07   0.03     0.09   0.05   0.00     0.00   0.01  -0.00
    20   1     0.07  -0.22   0.03    -0.14   0.14  -0.05     0.06  -0.01   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1489.4670              1491.9474              1497.0342
 Red. masses --      1.5024                 1.0977                 1.2822
 Frc consts  --      1.9638                 1.4396                 1.6931
 IR Inten    --      4.4660                12.4367                 0.8249
 RamAct Fr= 1--      2.5145                 4.4144                 3.0771
  Dep-P Fr= 1--      0.6724                 0.6776                 0.6441
  Dep-U Fr= 1--      0.8041                 0.8078                 0.7835
 Alpha2 Fr= 1--      0.0035                 0.0056                 0.0059
 Beta2  Fr= 1--      0.3370                 0.5943                 0.4018
 AlphaG Fr= 1--      0.0024                 0.0194                -0.0236
 Gamma2 Fr= 1--      4.7547                -1.3061                -2.1334
 Delta2 Fr= 1--     -1.2413                 0.8731                -0.4106
 Raman1 Fr= 1--      10.058                 17.658                 12.308
 ROA1   Fr= 1--     416.728                -97.444               -217.951
 CID1   Fr= 1--      41.433                 -5.519                -17.708
 Raman2 Fr= 1--       4.044                  7.132                  4.822
 ROA2   Fr= 1--     124.043                -38.330                -47.917
 CID2   Fr= 1--      30.674                 -5.374                 -9.938
 Raman3 Fr= 1--       8.088                 14.264                  9.644
 ROA3   Fr= 1--     416.728                -97.444               -217.951
 CID3   Fr= 1--      51.526                 -6.831                -22.601
 RC180  Fr= 1--       0.608                  0.616                  0.567
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.03   0.01     0.03   0.00   0.00     0.05   0.01   0.01
     2   6    -0.07   0.02   0.00    -0.02   0.01   0.00    -0.03   0.03   0.00
     3   6     0.02  -0.10  -0.02     0.00  -0.03  -0.01     0.01  -0.07  -0.02
     4   6     0.04   0.05   0.01     0.02   0.01   0.00     0.05   0.02   0.01
     5   6    -0.09  -0.01  -0.01    -0.03   0.00  -0.00    -0.05   0.01  -0.00
     6   6     0.02  -0.08  -0.02     0.00  -0.03  -0.01     0.00  -0.06  -0.02
     7   6     0.01   0.02   0.01    -0.02  -0.01   0.00    -0.06   0.03  -0.00
     8   7    -0.01   0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
     9   6     0.04   0.00   0.01    -0.01  -0.05  -0.01    -0.03   0.02  -0.01
    10   1    -0.01   0.03   0.02     0.00   0.00  -0.03     0.01  -0.06   0.02
    11   1     0.11  -0.01   0.02     0.11   0.00  -0.07     0.23  -0.05   0.03
    12   1    -0.36   0.26  -0.24    -0.25  -0.16   0.24     0.57  -0.20   0.13
    13   1    -0.24  -0.31  -0.29     0.53   0.28   0.04    -0.04   0.19   0.33
    14   1     0.00  -0.01   0.32    -0.10   0.63  -0.14     0.07  -0.36  -0.34
    15   1    -0.05   0.09   0.02    -0.05   0.04   0.01    -0.11   0.09   0.01
    16   1     0.20   0.21   0.07     0.04   0.06   0.02     0.06   0.10   0.03
    17   1    -0.04   0.39   0.09    -0.02   0.13   0.03    -0.04   0.25   0.06
    18   1    -0.16   0.14   0.02    -0.08   0.05   0.01    -0.16   0.10   0.01
    19   1     0.09   0.15   0.04     0.02   0.04   0.01     0.01   0.06   0.02
    20   1     0.05  -0.04   0.02    -0.05   0.02  -0.01    -0.02   0.02  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1532.7745              1629.4700              1647.3311
 Red. masses --      2.2230                 5.2150                 2.7491
 Frc consts  --      3.0772                 8.1582                 4.3954
 IR Inten    --      9.7686                 0.4861                 8.8226
 RamAct Fr= 1--      0.4022                 8.2566                27.5240
  Dep-P Fr= 1--      0.3301                 0.7441                 0.6420
  Dep-U Fr= 1--      0.4963                 0.8533                 0.7819
 Alpha2 Fr= 1--      0.0038                 0.0008                 0.0537
 Beta2  Fr= 1--      0.0333                 1.1742                 3.5870
 AlphaG Fr= 1--      0.0066                 0.0076                 0.0028
 Gamma2 Fr= 1--     -0.3316                -1.4669                 2.3261
 Delta2 Fr= 1--     -0.0533                -0.0667                -0.0313
 Raman1 Fr= 1--       1.609                 33.026                110.096
 ROA1   Fr= 1--     -33.545               -142.955                222.307
 CID1   Fr= 1--     -20.849                 -4.329                  2.019
 Raman2 Fr= 1--       0.399                 14.090                 43.044
 ROA2   Fr= 1--      -7.533                -34.671                 56.078
 CID2   Fr= 1--     -18.866                 -2.461                  1.303
 Raman3 Fr= 1--       0.799                 28.180                 86.088
 ROA3   Fr= 1--     -33.545               -142.955                222.307
 CID3   Fr= 1--     -42.007                 -5.073                  2.582
 RC180  Fr= 1--      -0.007                  0.707                  0.564
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13   0.09   0.01     0.07  -0.18  -0.04    -0.18   0.04  -0.00
     2   6    -0.05  -0.10  -0.03     0.09   0.19   0.05     0.16   0.05   0.02
     3   6     0.14   0.02   0.01     0.03  -0.29  -0.07    -0.13   0.02  -0.00
     4   6    -0.08   0.08   0.02    -0.10   0.16   0.04     0.19  -0.05   0.00
     5   6    -0.10  -0.11  -0.03    -0.06  -0.21  -0.06    -0.15  -0.04  -0.02
     6   6     0.11   0.01   0.01    -0.03   0.33   0.08     0.09  -0.02   0.00
     7   6    -0.04  -0.00  -0.00    -0.02   0.03   0.00     0.01  -0.01  -0.01
     8   7     0.01  -0.00   0.00    -0.02   0.01  -0.01    -0.03   0.03  -0.04
     9   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    10   1     0.01  -0.02  -0.03    -0.01  -0.06   0.16    -0.01  -0.21   0.51
    11   1    -0.03  -0.01   0.01     0.24  -0.03   0.00     0.01  -0.03  -0.00
    12   1     0.09  -0.04   0.03     0.01   0.00  -0.00    -0.02  -0.00   0.01
    13   1     0.04   0.05   0.06     0.01   0.01   0.01     0.03   0.01  -0.02
    14   1     0.00  -0.01  -0.10     0.00   0.00  -0.02    -0.01   0.03   0.00
    15   1     0.42  -0.11  -0.00     0.27   0.02   0.02    -0.23   0.13   0.02
    16   1     0.40   0.24   0.09     0.27   0.01   0.02     0.10   0.15   0.05
    17   1     0.13   0.02   0.01     0.08  -0.45  -0.11     0.09   0.04   0.02
    18   1     0.47  -0.15  -0.00    -0.19  -0.09  -0.03     0.19  -0.12  -0.02
    19   1     0.38   0.20   0.06    -0.28  -0.07  -0.03    -0.13  -0.18  -0.05
    20   1    -0.05   0.03  -0.02     0.17  -0.05   0.06     0.53  -0.12   0.16
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1655.8729              2942.9079              3028.5797
 Red. masses --      1.3941                 1.0824                 1.0373
 Frc consts  --      2.2521                 5.5233                 5.6058
 IR Inten    --     38.3326                54.7058                34.4198
 RamAct Fr= 1--     12.3635                87.5808               212.5002
  Dep-P Fr= 1--      0.5538                 0.2166                 0.0606
  Dep-U Fr= 1--      0.7129                 0.3560                 0.1142
 Alpha2 Fr= 1--      0.0463                 1.1379                 4.0930
 Beta2  Fr= 1--      1.4689                 5.1966                 4.0450
 AlphaG Fr= 1--      0.0622                 0.9513                 0.0384
 Gamma2 Fr= 1--     -1.1346                 2.8564                 1.1115
 Delta2 Fr= 1--     -0.0598                 1.0254                -0.8647
 Raman1 Fr= 1--      49.454                350.323                850.001
 ROA1   Fr= 1--    -110.841                307.028                 79.033
 CID1   Fr= 1--      -2.241                  0.876                  0.093
 Raman2 Fr= 1--      17.627                 62.359                 48.540
 ROA2   Fr= 1--     -26.753                 60.350                 33.594
 CID2   Fr= 1--      -1.518                  0.968                  0.692
 Raman3 Fr= 1--      35.253                124.719                 97.080
 ROA3   Fr= 1--    -110.841                307.028                 79.033
 CID3   Fr= 1--      -3.144                  2.462                  0.814
 RC180  Fr= 1--       0.426                 -0.288                 -0.772
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.07  -0.04  -0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.06   0.02   0.01     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.08   0.01  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.07   0.03   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.03  -0.01  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6    -0.02  -0.02  -0.02    -0.02  -0.07  -0.05    -0.00  -0.00  -0.00
     8   7    -0.04   0.04  -0.05     0.00  -0.00   0.00     0.00   0.00  -0.00
     9   6    -0.00  -0.00   0.01     0.00   0.01   0.00    -0.04  -0.01   0.03
    10   1    -0.01  -0.27   0.63    -0.01  -0.00   0.01    -0.00  -0.00   0.00
    11   1     0.02  -0.06   0.02     0.16   0.82   0.54     0.00   0.01   0.01
    12   1     0.00  -0.01   0.01    -0.01  -0.04  -0.03    -0.09  -0.39  -0.27
    13   1     0.05   0.02  -0.01     0.02  -0.02   0.01    -0.20   0.35  -0.19
    14   1    -0.01   0.03  -0.04    -0.04  -0.00  -0.00     0.74   0.12   0.06
    15   1     0.08  -0.06  -0.01    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    16   1    -0.06  -0.06  -0.02    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.04   0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.05   0.05   0.01    -0.00   0.00  -0.00     0.00   0.00   0.00
    19   1     0.08   0.08   0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   1     0.63  -0.13   0.19     0.01   0.00  -0.00     0.00  -0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3092.5548              3113.9039              3156.2114
 Red. masses --      1.0981                 1.1026                 1.0866
 Frc consts  --      6.1877                 6.2992                 6.3775
 IR Inten    --     33.5439                17.8559                 8.1994
 RamAct Fr= 1--     77.4223                34.5814                45.0580
  Dep-P Fr= 1--      0.7476                 0.7242                 0.4772
  Dep-U Fr= 1--      0.8555                 0.8400                 0.6461
 Alpha2 Fr= 1--      0.0032                 0.0154                 0.2465
 Beta2  Fr= 1--     11.0397                 4.8415                 4.8520
 AlphaG Fr= 1--     -0.0018                -0.0445                -0.1088
 Gamma2 Fr= 1--     -1.1169                 0.2228                -0.5007
 Delta2 Fr= 1--      0.6304                -0.1550                 0.4487
 Raman1 Fr= 1--     309.689                138.326                180.232
 ROA1   Fr= 1--     -87.053                 16.427                -33.706
 CID1   Fr= 1--      -0.281                  0.119                 -0.187
 Raman2 Fr= 1--     132.476                 58.098                 58.224
 ROA2   Fr= 1--     -31.850                  6.586                -15.606
 CID2   Fr= 1--      -0.240                  0.113                 -0.268
 Raman3 Fr= 1--     264.952                116.195                116.448
 ROA3   Fr= 1--     -87.053                 16.427                -33.706
 CID3   Fr= 1--      -0.329                  0.141                 -0.289
 RC180  Fr= 1--       0.711                  0.680                  0.292
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.00
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.03  -0.07  -0.02
     5   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.03   0.01
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.02   0.00   0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     8   7     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6    -0.08  -0.01  -0.05     0.02  -0.09  -0.00    -0.00  -0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    11   1     0.01   0.03   0.02     0.01   0.05   0.03     0.01   0.01   0.01
    12   1     0.07   0.46   0.32     0.11   0.53   0.38     0.00   0.01   0.01
    13   1     0.20  -0.41   0.22    -0.32   0.58  -0.33    -0.00   0.01  -0.00
    14   1     0.63   0.10   0.04    -0.00  -0.02  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00     0.33   0.78   0.22
    16   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.25  -0.33  -0.07
    17   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.18  -0.02  -0.02
    18   1     0.00   0.00   0.00     0.00   0.00   0.00     0.05   0.11   0.03
    19   1     0.00  -0.00  -0.00     0.01  -0.01  -0.00     0.02  -0.03  -0.01
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3167.2764              3177.6927              3190.1981
 Red. masses --      1.0865                 1.0909                 1.0944
 Frc consts  --      6.4217                 6.4903                 6.5626
 IR Inten    --      0.4947                22.3618                19.7780
 RamAct Fr= 1--     97.8556                81.0934               127.1920
  Dep-P Fr= 1--      0.6091                 0.7057                 0.1299
  Dep-U Fr= 1--      0.7571                 0.8275                 0.2299
 Alpha2 Fr= 1--      0.2538                 0.0624                 2.0683
 Beta2  Fr= 1--     12.3478                11.1837                 4.8738
 AlphaG Fr= 1--     -0.0493                -0.0260                -0.1950
 Gamma2 Fr= 1--      0.4903                -0.5610                 1.6420
 Delta2 Fr= 1--      0.0512                -0.3613                -2.0414
 Raman1 Fr= 1--     391.423                324.374                508.768
 ROA1   Fr= 1--      48.703                -65.413                 92.302
 CID1   Fr= 1--       0.124                 -0.202                  0.181
 Raman2 Fr= 1--     148.174                134.205                 58.486
 ROA2   Fr= 1--      11.357                -10.573                 55.738
 CID2   Fr= 1--       0.077                 -0.079                  0.953
 Raman3 Fr= 1--     296.348                268.409                116.971
 ROA3   Fr= 1--      48.703                -65.413                 92.302
 CID3   Fr= 1--       0.164                 -0.244                  0.789
 RC180  Fr= 1--       0.514                  0.655                 -0.540
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.01    -0.02  -0.04  -0.01    -0.00  -0.01  -0.00
     2   6    -0.01   0.01   0.00    -0.01   0.02   0.00    -0.02   0.03   0.01
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.01   0.03   0.01    -0.01  -0.02  -0.01     0.01   0.01   0.00
     5   6    -0.01   0.01   0.00     0.04  -0.04  -0.01    -0.03   0.04   0.01
     6   6     0.05   0.01   0.00    -0.03  -0.00  -0.00    -0.06  -0.01  -0.01
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    10   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   1    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.12  -0.29  -0.08     0.11   0.26   0.08    -0.07  -0.15  -0.04
    16   1     0.12  -0.16  -0.03    -0.40   0.51   0.10     0.33  -0.43  -0.09
    17   1    -0.56  -0.07  -0.05     0.34   0.04   0.03     0.65   0.08   0.06
    18   1     0.26   0.62   0.17     0.20   0.48   0.13     0.06   0.15   0.04
    19   1     0.13  -0.16  -0.03     0.14  -0.19  -0.03     0.27  -0.35  -0.06
    20   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3197.6487              3485.0365              3565.4792
 Red. masses --      1.0945                 1.0486                 1.0939
 Frc consts  --      6.5934                 7.5033                 8.1933
 IR Inten    --      7.3014                 0.3154                 0.3838
 RamAct Fr= 1--    209.8784               169.7795                80.3568
  Dep-P Fr= 1--      0.0965                 0.1038                 0.7007
  Dep-U Fr= 1--      0.1761                 0.1881                 0.8240
 Alpha2 Fr= 1--      3.7060                 2.9447                 0.0691
 Beta2  Fr= 1--      6.1587                 5.3238                11.0356
 AlphaG Fr= 1--      0.0476                -1.1262                 0.1410
 Gamma2 Fr= 1--     -1.7787                -1.9365                -4.5919
 Delta2 Fr= 1--      1.6488                -0.0601                -1.4188
 Raman1 Fr= 1--     839.514                679.118                321.427
 ROA1   Fr= 1--    -117.993               -187.825               -486.222
 CID1   Fr= 1--      -0.141                 -0.277                 -1.513
 Raman2 Fr= 1--      73.904                 63.885                132.427
 ROA2   Fr= 1--     -55.879                -45.994                -98.855
 CID2   Fr= 1--      -0.756                 -0.720                 -0.746
 Raman3 Fr= 1--     147.808                127.771                264.854
 ROA3   Fr= 1--    -117.993               -187.825               -486.222
 CID3   Fr= 1--      -0.798                 -1.470                 -1.836
 RC180  Fr= 1--      -0.648                 -0.624                  0.648
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03  -0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6     0.05  -0.06  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.01   0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.03  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     8   7     0.00   0.00   0.00    -0.03   0.01  -0.05    -0.07  -0.01   0.04
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   1     0.00   0.00  -0.00     0.68   0.07   0.00     0.72   0.09   0.04
    11   1    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.00  -0.00  -0.00
    12   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    13   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.02  -0.04  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.11  -0.14  -0.03    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.29   0.03   0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.16   0.38   0.10    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1    -0.51   0.65   0.12    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1    -0.00  -0.00  -0.00    -0.27  -0.12   0.66     0.23   0.10  -0.64

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   121.08915 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   523.996361619.923491832.00536
           X            0.99997   0.00657  -0.00461
           Y           -0.00655   0.99997   0.00434
           Z            0.00464  -0.00431   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16529     0.05347     0.04728
 Rotational constants (GHZ):           3.44419     1.11409     0.98512
 Zero-point vibrational energy     456063.0 (Joules/Mol)
                                  109.00167 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     63.11   183.67   309.66   369.29   407.86
          (Kelvin)            444.74   530.20   599.60   696.20   790.42
                              863.76   918.41  1031.15  1106.38  1121.81
                             1212.85  1243.55  1326.50  1343.83  1393.73
                             1424.63  1446.37  1475.72  1516.14  1535.27
                             1592.51  1630.24  1703.09  1724.95  1735.10
                             1810.22  1918.60  1949.71  1970.14  2018.05
                             2024.03  2143.01  2146.58  2153.90  2205.32
                             2344.44  2370.14  2382.43  4234.19  4357.45
                             4449.50  4480.21  4541.08  4557.00  4571.99
                             4589.98  4600.70  5014.19  5129.93
 
 Zero-point correction=                           0.173705 (Hartree/Particle)
 Thermal correction to Energy=                    0.182186
 Thermal correction to Enthalpy=                  0.183130
 Thermal correction to Gibbs Free Energy=         0.140315
 Sum of electronic and zero-point Energies=           -366.228140
 Sum of electronic and thermal Energies=              -366.219660
 Sum of electronic and thermal Enthalpies=            -366.218715
 Sum of electronic and thermal Free Energies=         -366.261530
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  114.323             32.909             90.110
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.288
 Rotational               0.889              2.981             28.832
 Vibrational            112.546             26.948             20.990
 Vibration     1          0.595              1.980              5.076
 Vibration     2          0.611              1.926              2.981
 Vibration     3          0.645              1.818              1.999
 Vibration     4          0.666              1.752              1.684
 Vibration     5          0.682              1.704              1.513
 Vibration     6          0.698              1.656              1.367
 Vibration     7          0.741              1.537              1.086
 Vibration     8          0.780              1.434              0.903
 Vibration     9          0.840              1.286              0.700
 Vibration    10          0.905              1.141              0.545
 Vibration    11          0.958              1.031              0.449
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.288034D-64        -64.540556       -148.610122
 Total V=0       0.228153D+16         15.358226         35.363623
 Vib (Bot)       0.123200D-77        -77.909388       -179.392995
 Vib (Bot)    1  0.471538D+01          0.673517          1.550829
 Vib (Bot)    2  0.159791D+01          0.203552          0.468696
 Vib (Bot)    3  0.920866D+00         -0.035803         -0.082441
 Vib (Bot)    4  0.757967D+00         -0.120350         -0.277115
 Vib (Bot)    5  0.676970D+00         -0.169430         -0.390128
 Vib (Bot)    6  0.612048D+00         -0.213215         -0.490945
 Vib (Bot)    7  0.494552D+00         -0.305788         -0.704103
 Vib (Bot)    8  0.422387D+00         -0.374289         -0.861833
 Vib (Bot)    9  0.344483D+00         -0.462832         -1.065710
 Vib (Bot)   10  0.285832D+00         -0.543890         -1.252353
 Vib (Bot)   11  0.248634D+00         -0.604439         -1.391773
 Vib (V=0)       0.975875D+02          1.989394          4.580749
 Vib (V=0)    1  0.524181D+01          0.719482          1.656668
 Vib (V=0)    2  0.217431D+01          0.337322          0.776712
 Vib (V=0)    3  0.154785D+01          0.189730          0.436868
 Vib (V=0)    4  0.140803D+01          0.148611          0.342190
 Vib (V=0)    5  0.134160D+01          0.127623          0.293862
 Vib (V=0)    6  0.129032D+01          0.110697          0.254889
 Vib (V=0)    7  0.120326D+01          0.080361          0.185039
 Vib (V=0)    8  0.115453D+01          0.062406          0.143694
 Vib (V=0)    9  0.110718D+01          0.044219          0.101817
 Vib (V=0)   10  0.107593D+01          0.031786          0.073189
 Vib (V=0)   11  0.105841D+01          0.024653          0.056765
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523735D+08          7.719112         17.773912
 Rotational      0.446396D+06          5.649720         13.008962
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3       3333333  3  2                                           111 1111 11111 1111111111                                    
     5  4       1111110  0  9                                           666 5444 44333 2211110000999988 77 7  66 5 4  43 322 2  1    
     6  8       9976519  2  4                                           542 3998 00653 5098306520963264 86 1  30 4 8  16 085 1  2  4 
     5  5       8087643  9  3                                           679 3729 73953 8694377465094243 09 7  80 9 4  79 937 5  8  4 
 
     X  X       XXXXXXX  X  X                                           XXX XXXX XXXXX XXXXXXXX XX XXXX XX X  XX X X  XX XXX X  X  X 
                XXX XXX  X  X                                           XX  X X  XXX       X X        X XX X   X X     X  XX         
                 XX  XX  X  X                                           X     X            X          X X  X   X X        XX         
                 XX  XX  X  X                                           X                             X X  X              X          
                  X   X  X  X                                           X                             X X  X              X          
                      X  X  X                                           X                             X X  X                         
                      X  X  X                                           X                             X    X                         
                            X                                           X                             X    X                         
                            X                                                                         X    X                         
                            X                                                                         X                              
                            X                                                                         X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000007657   -0.000003940    0.000001122
      2        6          -0.000005405   -0.000005277   -0.000002029
      3        6          -0.000000871    0.000012383   -0.000002427
      4        6           0.000008339   -0.000003972    0.000000687
      5        6          -0.000005820   -0.000003822   -0.000000495
      6        6          -0.000000253    0.000007211    0.000000302
      7        6          -0.000002957   -0.000007290    0.000007643
      8        7          -0.000001588    0.000000105   -0.000000073
      9        6           0.000003986    0.000008426   -0.000012746
     10        1           0.000000282   -0.000001552   -0.000000180
     11        1          -0.000001722    0.000000341   -0.000002301
     12        1          -0.000002370   -0.000001661    0.000003548
     13        1          -0.000000349   -0.000000518   -0.000000156
     14        1          -0.000001946    0.000000020    0.000002611
     15        1          -0.000000646    0.000000631    0.000000044
     16        1           0.000000004    0.000000175    0.000000843
     17        1          -0.000000034   -0.000000195    0.000000685
     18        1          -0.000000475    0.000000588   -0.000000512
     19        1           0.000001453    0.000000154    0.000000918
     20        1           0.000002716   -0.000001807    0.000002516
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012746 RMS     0.000003918
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.131973D+03  0.235858D+00  0.122457D+01
      2   0.235858D+00  0.105961D+03  0.579442D+01
      3   0.122457D+01  0.579442D+01  0.765941D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.163139D+01  0.213585D+01  0.961818D+00
      2   0.401071D+01  0.142639D+02 -0.123621D+02
      3  -0.368983D+01 -0.322048D+02 -0.132861D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.676814D+02  0.482055D+01  0.308365D+01
      2  -0.182494D+02 -0.683703D+01 -0.762646D+01
      3  -0.494320D+02  0.201648D+01  0.454282D+01
      4  -0.599544D+01  0.633460D+02  0.348387D+02
      5   0.192138D+02  0.359623D+02 -0.332977D+02
      6   0.147312D+02  0.495786D+01 -0.382564D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.389031D+01 -0.529207D+00 -0.123180D+00  0.491433D+01  0.287636D+00
      2  -0.529207D+00  0.225899D+01 -0.248188D+00  0.287636D+00  0.141417D+01
      3  -0.123180D+00 -0.248188D+00  0.744923D+00 -0.394615D+00 -0.100214D+01
                 6             7             8             9            10 
      1  -0.394615D+00  0.721582D+00 -0.747317D+00  0.190205D+01  0.384087D+01
      2  -0.100214D+01 -0.747317D+00 -0.130230D+01  0.346602D+01 -0.503774D+00
      3   0.132548D+01  0.190205D+01  0.346602D+01  0.269929D+01  0.170845D+00
                11            12            13            14            15 
      1  -0.503774D+00  0.170845D+00  0.809136D+01 -0.108447D+00  0.171688D+00
      2  -0.329050D+01 -0.664958D+00 -0.108447D+00  0.167323D+01 -0.812912D+00
      3  -0.664958D+00 -0.151831D+01  0.171688D+00 -0.812912D+00  0.141809D+01
                16            17            18            19            20 
      1   0.294602D+01 -0.564570D-01 -0.181530D+01 -0.172200D+02 -0.217816D+01
      2  -0.564570D-01 -0.162350D+01  0.304879D+01 -0.217816D+01 -0.254021D+01
      3  -0.181530D+01  0.304879D+01  0.137237D+01  0.446510D+00  0.695778D-01
                21            22            23            24            25 
      1   0.446510D+00 -0.283061D+01  0.122370D+01  0.159215D+01 -0.100784D+01
      2   0.695778D-01  0.122370D+01 -0.327673D+00 -0.351985D+00  0.144209D+01
      3  -0.187510D+01  0.159215D+01 -0.351985D+00  0.622887D-02 -0.404401D+01
                26            27            28            29            30 
      1   0.144209D+01 -0.404401D+01  0.510310D+01  0.241758D+01  0.563683D+00
      2  -0.566442D+00 -0.484182D+00  0.241758D+01 -0.224700D+01 -0.219133D+00
      3  -0.484182D+00 -0.650433D+00  0.563683D+00 -0.219133D+00 -0.826055D+00
                31            32            33            34            35 
      1  -0.683140D+01 -0.674186D+00  0.252706D+00 -0.808504D+00  0.903542D+00
      2  -0.674186D+00 -0.199451D+01  0.115110D+01  0.903542D+00  0.129462D+01
      3   0.252706D+00  0.115110D+01 -0.133299D+01 -0.784581D+00 -0.337036D+01
                36            37            38            39            40 
      1  -0.784581D+00 -0.243076D+01 -0.799157D+00 -0.320597D+00 -0.539390D+01
      2  -0.337036D+01 -0.799157D+00  0.262852D+01  0.821204D+00 -0.700693D+00
      3  -0.297650D+01 -0.320597D+00  0.821204D+00  0.161875D+01 -0.102472D+01
                41            42            43            44            45 
      1  -0.700693D+00 -0.102472D+01 -0.178576D+01 -0.733958D+00  0.283972D+01
      2  -0.106811D+01  0.121484D+01 -0.733958D+00  0.176878D+01 -0.294858D+01
      3   0.121484D+01 -0.124755D+01  0.283972D+01 -0.294858D+01 -0.143127D+01
                46            47            48            49            50 
      1   0.592605D+01  0.411555D+00 -0.406770D+00  0.877851D+00 -0.328981D+00
      2   0.411555D+00  0.320998D+01  0.246724D+00 -0.328981D+00  0.213866D+00
      3  -0.406770D+00  0.246724D+00  0.223060D+01 -0.139329D+01 -0.571474D+00
                51            52            53            54            55 
      1  -0.139329D+01 -0.372830D-01 -0.142550D+01  0.522434D+01  0.380237D+01
      2  -0.571474D+00 -0.142550D+01  0.570734D-02  0.424249D+00  0.593763D+00
      3  -0.293727D-01  0.522434D+01  0.424249D+00  0.773967D+00 -0.114414D+01
                56            57            58            59            60 
      1   0.593763D+00 -0.114414D+01  0.360831D+00  0.218969D+01 -0.228546D+01
      2   0.885645D+00 -0.104339D+01  0.218969D+01  0.479474D+01  0.346668D+01
      3  -0.104339D+01  0.237898D+01 -0.228546D+01  0.346668D+01  0.892073D+00
                61            62            63            64            65 
      1  -0.518876D+01 -0.174246D+01  0.470671D+01  0.722364D+01  0.110423D+01
      2  -0.174246D+01  0.293107D+01  0.250731D+01  0.110423D+01 -0.591451D+00
      3   0.470671D+01  0.250731D+01 -0.189246D+01  0.134092D+01  0.609015D+00
                66            67            68            69            70 
      1   0.134092D+01  0.362504D+01 -0.176147D+01  0.157546D+01  0.176386D+01
      2   0.609015D+00 -0.176147D+01  0.118878D+01 -0.158884D+01  0.311670D+00
      3  -0.181410D+01  0.157546D+01 -0.158884D+01 -0.166486D+00 -0.150330D+01
                71            72            73            74            75 
      1   0.311670D+00 -0.150330D+01  0.861699D+01  0.193153D+01 -0.146172D-01
      2   0.126795D+00 -0.124995D+01  0.193153D+01 -0.193475D+01  0.111449D+01
      3  -0.124995D+01  0.506136D+01 -0.146172D-01  0.111449D+01 -0.271083D+01
                76            77            78            79            80 
      1   0.154336D+01 -0.180340D+01  0.148316D+01  0.541259D+01  0.181157D+01
      2  -0.180340D+01  0.321465D+00 -0.409207D+01  0.181157D+01 -0.284325D+01
      3   0.148316D+01 -0.409207D+01 -0.122971D+01 -0.420921D+01 -0.172895D+01
                81            82            83            84            85 
      1  -0.420921D+01 -0.122752D+02  0.913678D+00 -0.223574D+01 -0.137169D+00
      2  -0.172895D+01  0.913678D+00 -0.848526D+00  0.469992D+00 -0.600980D+00
      3   0.156677D+01 -0.223574D+01  0.469992D+00 -0.158617D+01  0.349346D-01
                86            87            88            89            90 
      1  -0.600980D+00  0.349346D-01 -0.387554D+00  0.168833D+00 -0.101181D+01
      2   0.486965D+00  0.926854D-01  0.168833D+00  0.319967D+00  0.208433D+00
      3   0.926854D-01 -0.437546D-01 -0.101181D+01  0.208433D+00 -0.612804D+00
                91            92            93            94            95 
      1   0.842653D-02 -0.132811D+01 -0.527880D+00 -0.265176D+01 -0.137928D+01
      2  -0.132811D+01 -0.104011D+01 -0.253796D+00 -0.137928D+01 -0.655726D+01
      3  -0.527880D+00 -0.253796D+00 -0.874754D+00 -0.430453D+00 -0.206219D+01
                96            97            98            99           100 
      1  -0.430453D+00 -0.649462D+00 -0.343807D+00 -0.120336D+01 -0.369880D+00
      2  -0.206219D+01 -0.343807D+00 -0.275177D+01 -0.204251D+01  0.504524D+00
      3  -0.212514D+01 -0.120336D+01 -0.204251D+01 -0.195857D+01  0.369265D+00
               101           102           103           104           105 
      1   0.504524D+00  0.369265D+00  0.168206D+01 -0.466415D-01 -0.777945D+00
      2   0.375706D+00  0.989191D-02 -0.466415D-01  0.312853D+01  0.222221D+01
      3   0.989191D-02  0.834539D+00 -0.777945D+00  0.222221D+01  0.339534D+01
               106           107           108           109           110 
      1   0.668941D+00 -0.264311D+00 -0.826055D-01  0.291667D+00 -0.992548D+00
      2  -0.264311D+00  0.188241D+01  0.163220D+01 -0.992548D+00  0.142935D+01
      3  -0.826055D-01  0.163220D+01  0.346768D+01  0.513003D+00 -0.947878D+00
               111           112           113           114           115 
      1   0.513003D+00 -0.159199D+01  0.477734D+00 -0.159237D+00  0.294724D+00
      2  -0.947878D+00  0.477734D+00 -0.441737D+01  0.271462D+01 -0.341643D+00
      3   0.160095D+01 -0.159237D+00  0.271462D+01 -0.253009D+01  0.496428D+00
               116           117           118           119           120 
      1  -0.341643D+00  0.496428D+00 -0.133424D+02 -0.205986D+01  0.177222D+01
      2   0.198761D+01 -0.168546D+01 -0.205986D+01 -0.127715D+01  0.359575D+00
      3  -0.168546D+01  0.251438D+01  0.177222D+01  0.359575D+00 -0.162172D+01
               121           122           123           124           125 
      1  -0.199419D+01 -0.149267D+01  0.188217D+00 -0.930973D+00 -0.213731D+00
      2  -0.149267D+01 -0.823535D+00  0.597688D+00 -0.213731D+00  0.761146D-01
      3   0.188217D+00  0.597688D+00 -0.225544D+00 -0.724794D+00 -0.243620D-01
               126           127           128           129           130 
      1  -0.724794D+00 -0.160955D+01 -0.166266D+01 -0.520551D+00 -0.153701D+01
      2  -0.243620D-01 -0.166266D+01 -0.207254D+01 -0.616657D+00 -0.192985D+01
      3  -0.106928D+00 -0.520551D+00 -0.616657D+00 -0.423834D+00 -0.539584D+00
               131           132           133           134           135 
      1  -0.192985D+01 -0.539584D+00 -0.630427D+00 -0.677607D+00 -0.104357D+00
      2  -0.778446D+01 -0.202930D+01 -0.677607D+00 -0.216648D+01 -0.598911D+00
      3  -0.202930D+01 -0.140678D+01 -0.104357D+00 -0.598911D+00 -0.421839D+00
               136           137           138           139           140 
      1   0.476327D+01 -0.371513D+01 -0.715779D+00 -0.364376D+01  0.427356D+01
      2  -0.371513D+01  0.338723D+01  0.534601D+00  0.427356D+01 -0.634152D+01
      3  -0.715779D+00  0.534601D+00  0.662261D+00  0.943040D+00 -0.119457D+01
               141           142           143           144           145 
      1   0.943040D+00 -0.703952D+00  0.808439D+00  0.201976D+00  0.129015D+02
      2  -0.119457D+01  0.808439D+00 -0.140883D+01 -0.305849D+00  0.116885D+01
      3  -0.101606D+01  0.201976D+00 -0.305849D+00 -0.242084D+00  0.961016D+00
               146           147           148           149           150 
      1   0.116885D+01  0.961016D+00  0.111374D+01  0.161202D+01  0.460255D+00
      2   0.888096D+00  0.467961D-01  0.161202D+01  0.454619D+00  0.150349D+00
      3   0.467961D-01  0.102814D+01  0.460255D+00  0.150349D+00  0.163395D+00
               151           152           153           154           155 
      1   0.107134D+01  0.464364D+00  0.121890D+00  0.225976D+01  0.254509D+01
      2   0.464364D+00  0.131597D+00  0.326953D-01  0.254509D+01  0.273483D+01
      3   0.121890D+00  0.326953D-01  0.152583D+00  0.732136D+00  0.708110D+00
               156           157           158           159           160 
      1   0.732136D+00  0.229720D+01  0.362208D+01  0.947391D+00  0.729881D+00
      2   0.708110D+00  0.362208D+01  0.885569D+01  0.210487D+01  0.102558D+01
      3   0.556737D+00  0.947391D+00  0.210487D+01  0.142943D+01  0.294887D+00
               161           162           163           164           165 
      1   0.102558D+01  0.294887D+00 -0.421385D+01  0.211089D+01 -0.109968D+00
      2   0.224748D+01  0.603437D+00  0.211089D+01 -0.252120D+01 -0.330979D+00
      3   0.603437D+00  0.429185D+00 -0.109968D+00 -0.330979D+00 -0.587128D+00
               166           167           168           169           170 
      1   0.220552D+01 -0.265123D+01 -0.593753D+00 -0.137298D+00 -0.500158D+00
      2  -0.265123D+01  0.555450D+01  0.888229D+00 -0.500158D+00  0.111208D+01
      3  -0.593753D+00  0.888229D+00  0.888615D+00 -0.173268D+00  0.218626D+00
               171           172           173           174           175 
      1  -0.173268D+00  0.614270D+00  0.669035D-01 -0.750365D+00 -0.995009D-01
      2   0.218626D+00  0.669035D-01  0.565094D+00 -0.664995D+00 -0.208600D+00
      3   0.167985D+00 -0.750365D+00 -0.664995D+00  0.218214D+01 -0.499443D-01
               176           177           178           179           180 
      1  -0.208600D+00 -0.499443D-01 -0.134113D+01  0.110872D+00 -0.131405D+00
      2   0.122790D+01 -0.897789D+00  0.110872D+00 -0.122165D+01  0.229735D+01
      3  -0.897789D+00  0.183483D+01 -0.131405D+00  0.229735D+01 -0.791269D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.102467D-01  0.983796D+00 -0.153758D+01  0.165129D+01 -0.172335D-01
      2  -0.767605D+00  0.272534D+01  0.122211D+01  0.156274D+01 -0.308942D+01
      3   0.207056D+01 -0.126536D+02 -0.245438D+01  0.311082D+01 -0.124382D+01
                 6             7             8             9            10 
      1  -0.218175D+01 -0.511448D+01  0.606267D+00 -0.113804D+01 -0.652534D+00
      2   0.321132D+01 -0.804884D+01  0.831171D+01  0.481419D+01  0.143381D+01
      3   0.178801D+01 -0.614192D+00  0.369142D+01 -0.418144D+01  0.180352D+01
                11            12            13            14            15 
      1   0.739226D-02  0.188785D+01 -0.874569D+00 -0.182390D-01 -0.233184D+01
      2   0.377332D+00 -0.112909D+01  0.418418D+01  0.786224D+00  0.108710D+01
      3   0.500727D+00  0.129686D+01  0.284733D+01 -0.695506D+01  0.102790D+01
                16            17            18            19            20 
      1   0.691616D+01  0.343334D+01  0.454116D+00 -0.937163D+00 -0.287231D+00
      2  -0.122392D+02  0.214889D+00  0.287006D+00 -0.369784D+01 -0.131115D+01
      3  -0.872908D+00 -0.663629D+00 -0.611986D+01  0.266686D+00  0.757821D+01
                21            22            23            24            25 
      1   0.331931D+00 -0.112597D+01 -0.348823D+01  0.580176D+00 -0.486253D+00
      2  -0.198082D+01 -0.155344D+01  0.703127D+00 -0.435070D-02 -0.140571D+02
      3   0.926426D+00  0.171151D+02  0.202278D+01 -0.197723D+01  0.236773D+00
                26            27            28            29            30 
      1   0.947752D+01  0.224876D+01  0.174147D-01  0.128796D+01 -0.135180D+01
      2   0.255397D+00  0.119071D+00  0.385373D+01  0.166910D+01 -0.214958D+00
      3  -0.395298D-02  0.548102D+00 -0.569951D+01 -0.344645D+01 -0.216902D+01
                31            32            33            34            35 
      1   0.109276D+01  0.804397D+00 -0.225557D+01 -0.505058D+01  0.116791D+01
      2   0.196146D+01 -0.805370D+00 -0.124448D+01 -0.137428D+02 -0.126708D+01
      3   0.338635D+01  0.679929D+01  0.131024D+00 -0.304842D+01 -0.139574D+01
                36            37            38            39            40 
      1  -0.543913D+00 -0.436116D+00 -0.781476D+00  0.203554D+01 -0.164436D+01
      2  -0.330289D+01 -0.126940D+01  0.189016D+01  0.273969D+01 -0.128949D+01
      3   0.513948D+01  0.404194D+01 -0.101821D+02 -0.200452D+01  0.672035D+01
                41            42            43            44            45 
      1  -0.351523D+00 -0.164871D+01  0.683348D+01  0.333853D+01  0.132937D+01
      2   0.342964D+01 -0.379854D+01 -0.363511D+01 -0.992656D+01 -0.386853D+01
      3   0.153554D+01 -0.202382D+01  0.292412D+00 -0.325392D+01  0.401996D+01
                46            47            48            49            50 
      1   0.318185D+00 -0.638059D+00 -0.712445D+00 -0.805037D+00 -0.285115D+01
      2   0.513219D+00 -0.125345D+00  0.597091D+01 -0.493737D+01  0.255308D-01
      3  -0.229855D+01 -0.649209D+01 -0.620562D-01  0.112012D+02 -0.162292D+01
                51            52            53            54            55 
      1   0.746692D+00 -0.200791D+01  0.111198D+02  0.296575D+01 -0.908219D+00
      2   0.639986D+00  0.728480D+01  0.236938D+01  0.173664D+01  0.295920D+01
      3   0.935787D+00  0.413237D+01  0.388906D+00 -0.644025D+00 -0.372639D+00
                56            57            58            59            60 
      1  -0.701105D+00 -0.848884D+00  0.267370D+01  0.320802D+01  0.604984D+00
      2   0.129318D+01 -0.210508D+01  0.246840D+01 -0.715653D+01 -0.184973D+01
      3  -0.112534D+01  0.646576D+00  0.856781D+01  0.608157D+01  0.747504D+01
                61            62            63            64            65 
      1   0.268490D+01  0.411807D+01 -0.181901D+01 -0.248402D+01  0.194577D+01
      2  -0.155080D+02 -0.614118D+01  0.335004D+01  0.217715D+01 -0.140238D+01
      3   0.282933D+00  0.107485D+02  0.336543D+01  0.167496D+02 -0.661502D+01
                66            67            68            69            70 
      1   0.230980D+01 -0.414696D+00 -0.249572D+01 -0.259976D+01 -0.106240D+01
      2   0.905525D+01 -0.466333D-04  0.207872D+01  0.111457D+01  0.614986D+00
      3   0.488104D+01  0.316224D+01  0.418089D+01 -0.305513D+01  0.288848D+01
                71            72            73            74            75 
      1   0.606987D+01 -0.739389D+01  0.333165D+01 -0.300698D+01 -0.372137D+00
      2   0.459322D+01 -0.135502D+02 -0.124909D+02 -0.545179D+01  0.102711D+02
      3  -0.494009D+00 -0.461963D+01  0.284893D+00 -0.957935D+01  0.196625D+01
                76            77            78            79            80 
      1  -0.460381D+00 -0.127076D+01 -0.107774D+02 -0.131175D+01 -0.553015D+01
      2  -0.531547D+01  0.131656D+02  0.189362D+01  0.749874D+01  0.326542D+01
      3  -0.286207D+01  0.241272D+01 -0.136174D+02  0.886498D+00 -0.121952D+02
                81            82            83            84            85 
      1  -0.573106D+00  0.177256D+01  0.903034D+00  0.107390D+01 -0.493634D-01
      2   0.501976D+00 -0.465161D+01 -0.333169D+00  0.467994D+01 -0.713359D+00
      3  -0.165580D+01 -0.106843D+02 -0.439950D+01 -0.126731D+01 -0.138211D+01
                86            87            88            89            90 
      1  -0.261626D+00 -0.543348D+00  0.139402D+00  0.156100D+00  0.129104D+00
      2  -0.653753D+00  0.796344D+00  0.961403D+00 -0.795753D-02  0.882069D+00
      3   0.623749D+00  0.759275D+00 -0.266557D+00  0.553545D+00 -0.343605D+00
                91            92            93            94            95 
      1  -0.562992D+00 -0.162907D+00 -0.745942D+00 -0.894107D+00  0.268392D+00
      2   0.113594D+01  0.168890D+00  0.231020D+01 -0.691842D+00  0.388598D+01
      3  -0.342969D+01 -0.199670D+01 -0.251086D+00  0.322183D+01 -0.123664D+02
                96            97            98            99           100 
      1  -0.417040D+01 -0.806999D+00  0.271103D+00 -0.212387D+01  0.150259D+01
      2   0.392248D+01  0.211033D+00  0.303995D+01  0.319867D+01 -0.161862D+01
      3  -0.390190D+01  0.113717D+01 -0.552434D+01 -0.308791D+01  0.226886D+01
               101           102           103           104           105 
      1   0.134054D+01  0.189160D+00  0.441998D+00  0.756507D+01  0.342165D+01
      2  -0.953688D+00 -0.177829D+01 -0.165543D+01 -0.643200D+01 -0.782753D+01
      3   0.986867D+00  0.109942D-01  0.182758D+01  0.885939D+01  0.641129D+01
               106           107           108           109           110 
      1  -0.340973D+00  0.567951D+01  0.430720D+01 -0.153646D+01  0.220519D+01
      2  -0.235255D+01 -0.413811D+01 -0.818395D+01 -0.314609D+01  0.330446D+01
      3  -0.462732D+00  0.530254D+01  0.464736D+01 -0.421246D+01  0.415587D+01
               111           112           113           114           115 
      1   0.660816D+00  0.121474D+01 -0.508288D+01  0.134239D+00  0.274308D+00
      2  -0.335910D+01  0.362129D+01 -0.781035D+01  0.614736D+01 -0.346020D+01
      3  -0.230081D+01  0.523513D+01 -0.111288D+02  0.688806D+01 -0.138909D+01
               116           117           118           119           120 
      1   0.333125D+01 -0.497160D-01 -0.116831D+01 -0.200923D+01 -0.135145D+01
      2   0.463729D+01 -0.630973D+01  0.101366D+02  0.121931D+01  0.626177D+01
      3   0.520402D+01 -0.483317D+01  0.331553D+01 -0.560194D+01  0.645430D-01
               121           122           123           124           125 
      1  -0.163065D+01 -0.467697D+00 -0.178222D+00 -0.777011D+00  0.103163D+01
      2   0.182417D+01 -0.306449D+00  0.863503D+00  0.107038D+01 -0.107085D+00
      3  -0.172243D+01 -0.157670D+01  0.165872D+01 -0.915079D-01  0.121264D+01
               126           127           128           129           130 
      1  -0.284612D+00  0.127298D+00  0.336281D+00 -0.152809D+01  0.107284D+00
      2   0.110481D+01 -0.173571D+01 -0.114577D+01 -0.239483D-01 -0.169882D+01
      3   0.761854D+00  0.616976D+01  0.341805D+01  0.128106D+01  0.671633D+01
               131           132           133           134           135 
      1   0.793515D+00 -0.395031D+01  0.604828D+00  0.223563D+01 -0.593107D+00
      2  -0.228128D+01 -0.138075D+00 -0.186390D+01 -0.610656D+00  0.402988D-01
      3   0.810207D+01  0.254083D+01  0.233109D+01  0.230528D+01  0.351368D+00
               136           137           138           139           140 
      1   0.171166D+00 -0.628686D+00  0.219358D+01  0.288683D+00  0.318669D+00
      2  -0.239457D-01  0.495437D-01  0.285348D+01  0.915307D+00 -0.168982D+01
      3   0.149101D+01 -0.465229D+01 -0.282125D+00 -0.328640D+01  0.106903D+02
               141           142           143           144           145 
      1  -0.325175D+01 -0.946878D+00  0.147032D+01 -0.402745D+00 -0.135862D+00
      2  -0.357813D+01 -0.730730D+00  0.448234D+00 -0.477071D+00  0.115724D+01
      3   0.156951D+01 -0.941856D+00  0.255028D+01  0.381186D+00 -0.472483D+00
               146           147           148           149           150 
      1   0.373377D+00 -0.585880D+00  0.268097D-01  0.252250D-01 -0.394006D+00
      2  -0.907828D-01  0.628282D+01  0.166435D+01  0.357866D+00  0.886391D+00
      3  -0.530976D+01  0.163362D+00 -0.377403D+01 -0.126895D+01 -0.371780D+00
               151           152           153           154           155 
      1   0.365136D+00  0.472709D+00 -0.463002D-01 -0.206563D+00  0.126341D+00
      2  -0.239888D+01 -0.119254D+00  0.424419D+00  0.309852D+00  0.577928D+00
      3  -0.143778D+01 -0.773508D+00 -0.606079D-01 -0.736485D+00 -0.247546D+01
               156           157           158           159           160 
      1  -0.168037D+01 -0.240591D+00  0.521104D+00 -0.430209D+01  0.583640D+00
      2   0.168562D+01  0.538752D+00  0.302683D+01  0.354480D+01 -0.435113D+00
      3  -0.408098D+00 -0.119053D+01 -0.128535D+02 -0.275002D+01 -0.365110D+00
               161           162           163           164           165 
      1   0.185474D+01 -0.704136D+00  0.146208D+01 -0.750687D+00  0.255372D+01
      2   0.168433D+00  0.905334D+00  0.260228D+01 -0.839010D+00  0.818631D+00
      3  -0.339382D+01 -0.735973D+00 -0.117941D+02  0.340751D+01 -0.778200D+00
               166           167           168           169           170 
      1   0.177299D+00  0.799422D-01 -0.296268D+01  0.132472D+00  0.184178D+01
      2  -0.876364D+00  0.124978D+01 -0.871063D+00 -0.132790D+01  0.443473D+00
      3   0.623732D+01 -0.474480D+01 -0.141378D+01 -0.109757D+01 -0.135146D+01
               171           172           173           174           175 
      1  -0.531182D-01  0.315048D+00 -0.543323D+00 -0.252172D+01 -0.146531D+00
      2  -0.345012D+00  0.373431D+01  0.127582D+01 -0.526098D+01 -0.900945D-02
      3  -0.315464D+00  0.111614D+01  0.149858D+01 -0.215733D+01  0.856195D+00
               176           177           178           179           180 
      1  -0.177287D+00 -0.223910D+01 -0.507383D+00  0.837828D+00  0.718908D+01
      2   0.151571D+01 -0.479557D+01 -0.382914D+01 -0.554988D+01  0.180603D+02
      3   0.257301D+01 -0.146179D+01 -0.160001D+01 -0.290755D+01  0.738274D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.830296D+01 -0.209814D+02 -0.333709D+01  0.209628D+02  0.118891D+02
      2  -0.835216D+01  0.141600D+02  0.109775D+01 -0.171339D+02 -0.138878D+02
      3   0.491936D-01  0.682133D+01  0.223934D+01 -0.382892D+01  0.199879D+01
      4  -0.149242D+02 -0.557936D+01 -0.381381D+01  0.104175D+02 -0.191790D+01
      5  -0.618237D+01 -0.202764D+01 -0.894051D+00  0.352713D+00 -0.673926D+01
      6  -0.516780D+01 -0.619659D+00  0.317064D+01 -0.513442D+01 -0.109868D+02
                 6             7             8             9            10 
      1   0.442583D+01  0.506174D+01  0.119137D+01 -0.524705D+01 -0.114007D+01
      2  -0.634198D+01 -0.809823D+01 -0.927993D+01 -0.488171D+01  0.300779D+00
      3   0.191615D+01  0.303649D+01  0.808856D+01  0.101288D+02  0.839291D+00
      4  -0.613135D+01 -0.291034D+01 -0.103770D+02  0.131909D+02  0.111179D+02
      5   0.683663D+01  0.118562D+02  0.136057D+02  0.979115D+01  0.320404D+01
      6   0.274657D+01  0.604203D+01  0.128157D+02  0.347289D+01  0.269705D+01
                11            12            13            14            15 
      1   0.163580D+02  0.408697D+01 -0.467393D+01  0.194150D+01  0.442788D+01
      2  -0.126812D+02 -0.272927D+00  0.124604D+02 -0.391066D+01 -0.344473D+01
      3  -0.367676D+01 -0.381404D+01 -0.778644D+01  0.196915D+01 -0.983155D+00
      4  -0.102128D+02 -0.707191D+00  0.404979D+01  0.131874D+02  0.256020D+01
      5  -0.169222D+01 -0.179004D+01  0.355225D+01  0.265314D+01  0.225939D+00
      6  -0.183120D+01 -0.420745D+01  0.873716D+01 -0.562455D+01  0.430862D+01
                16            17            18            19            20 
      1  -0.181833D+01  0.568862D+01 -0.138061D+02 -0.197986D+02 -0.247961D+01
      2   0.749265D+01 -0.846803D+01  0.180609D+01  0.525141D+01  0.184180D+01
      3  -0.567432D+01  0.277941D+01  0.120000D+02  0.145472D+02  0.637807D+00
      4   0.295298D+01  0.203332D+01  0.348973D+01  0.489385D+01  0.195201D+01
      5   0.307340D+01  0.215442D+01 -0.230681D+00 -0.817550D+01 -0.120116D+01
      6  -0.339226D+01  0.112168D+02 -0.144074D-01 -0.405536D+01  0.411235D+00
                21            22            23            24            25 
      1  -0.248701D+01  0.248124D+01 -0.981017D+01 -0.163872D+01 -0.505575D+01
      2  -0.219603D-01 -0.426761D+01  0.139209D+02  0.718410D+01 -0.121262D+01
      3   0.250897D+01  0.178637D+01 -0.411075D+01 -0.554537D+01  0.626837D+01
      4  -0.534823D+00 -0.103512D+02 -0.222731D+01  0.106877D+01 -0.598374D+01
      5   0.271748D+00 -0.595428D+01  0.101685D+01 -0.391687D+00  0.506064D+01
      6   0.113523D+01 -0.342729D+01  0.587289D+01 -0.197033D+00  0.225584D+00
                26            27            28            29            30 
      1  -0.230817D+01 -0.873577D+01  0.117987D+02 -0.105570D+02 -0.836782D+00
      2   0.478950D+01 -0.332598D+01 -0.804248D+01  0.866586D+01 -0.114860D+00
      3  -0.248133D+01  0.120618D+02 -0.375619D+01  0.189115D+01  0.951642D+00
      4   0.125674D+01  0.105523D+01 -0.809475D+01 -0.176863D+02 -0.396334D+01
      5   0.835860D+00 -0.101628D+01  0.133220D+01 -0.270517D+01 -0.345685D+01
      6   0.585167D+01 -0.345581D+01 -0.165783D+01 -0.786075D+00  0.305462D+01
                31            32            33            34            35 
      1  -0.242973D+00  0.814990D+01  0.594486D+01  0.254828D+01  0.417969D+01
      2  -0.802774D+01 -0.104610D+02 -0.754561D+01 -0.514593D+01 -0.114123D+02
      3   0.827071D+01  0.231107D+01  0.160075D+01  0.259764D+01  0.723256D+01
      4   0.110461D+02 -0.127787D+02 -0.204153D+01 -0.398766D+00 -0.281915D+01
      5  -0.560878D+00 -0.246595D+01 -0.846142D+00  0.311003D+01 -0.528422D+01
      6  -0.587934D+01 -0.107862D+02  0.232467D+01  0.156758D+01  0.127125D+02
                36            37            38            39            40 
      1  -0.150813D+02 -0.175246D+01  0.224906D+02  0.602113D+01 -0.267094D+02
      2   0.149363D+00 -0.192260D+01 -0.147973D+02 -0.106102D+01  0.233848D+02
      3   0.149320D+02  0.367506D+01 -0.769328D+01 -0.496011D+01  0.332460D+01
      4  -0.667062D+01  0.157742D+02  0.356294D+01  0.223946D+01  0.242740D+01
      5  -0.474837D+01  0.419672D+00  0.429748D+00  0.535586D+01 -0.597835D+01
      6   0.472894D+01  0.250672D+00 -0.225688D+01 -0.523640D+01  0.772058D+01
                41            42            43            44            45 
      1   0.520194D+01  0.623179D+00 -0.892573D+01  0.434711D+01  0.246702D+01
      2  -0.763473D+01 -0.116622D+01  0.114802D+02 -0.817861D+01 -0.813775D+01
      3   0.243278D+01  0.543046D+00 -0.255442D+01  0.383150D+01  0.567073D+01
      4   0.880891D+01  0.970395D+01 -0.187289D+01  0.101305D+02 -0.140316D+02
      5   0.810770D+01 -0.726691D+01  0.183893D+02 -0.145014D+02 -0.914837D+01
      6  -0.680354D+01  0.311209D+01 -0.650545D+01  0.109483D+02 -0.865999D+00
                46            47            48            49            50 
      1  -0.986974D+01 -0.296843D+01 -0.471720D+01  0.942695D+01 -0.210587D+02
      2   0.735815D+01  0.242276D+01  0.221283D+01 -0.746856D+01  0.172898D+02
      3   0.251159D+01  0.545669D+00  0.250437D+01 -0.195838D+01  0.376898D+01
      4  -0.184741D+01  0.215736D+02  0.142994D+01 -0.181648D+02 -0.379094D+01
      5  -0.353054D+01  0.114163D+01  0.139626D+02 -0.135976D+02 -0.131843D+01
      6   0.148790D+01  0.501973D+00  0.169394D+01 -0.341936D+01  0.394147D+01
                51            52            53            54            55 
      1  -0.899397D+01 -0.346956D+01 -0.993234D+01  0.139312D+02  0.111870D+02
      2   0.992111D+01 -0.960892D+00  0.723210D+01 -0.160467D+02 -0.300551D+01
      3  -0.927142D+00  0.443045D+01  0.270024D+01  0.211546D+01 -0.818145D+01
      4  -0.410113D+01 -0.145143D+02 -0.168577D+01  0.211867D+01  0.100270D+01
      5   0.565236D+00  0.344499D+02  0.320088D+01  0.465124D+01  0.599617D+01
      6  -0.101065D+01  0.128959D+01  0.525114D+01 -0.411615D+01  0.230129D+01
                56            57            58            59            60 
      1   0.712745D+00 -0.151326D+01  0.994940D+01  0.584796D+01  0.766978D+01
      2   0.227782D+01 -0.131870D+01 -0.664585D+01 -0.114450D+02 -0.145563D+02
      3  -0.299057D+01  0.283196D+01 -0.330355D+01  0.559699D+01  0.688648D+01
      4  -0.828967D+01  0.342207D+01 -0.128442D+02 -0.195873D+02 -0.161702D+02
      5   0.349606D+01 -0.138084D+02  0.151095D+02 -0.141332D+02 -0.158474D+01
      6  -0.591970D+00 -0.722274D+00 -0.479844D+01 -0.116307D+02 -0.708946D+01
                61            62            63            64            65 
      1   0.462889D+01  0.647299D+01 -0.530680D+01 -0.367889D+02  0.440889D+00
      2  -0.977994D+01 -0.492651D+01  0.667726D+01  0.244041D+02 -0.384148D+01
      3   0.515105D+01 -0.154648D+01 -0.137046D+01  0.123848D+02  0.340059D+01
      4   0.118968D+02 -0.155225D+02 -0.119066D+02  0.341882D+00  0.110313D+02
      5  -0.272722D+02 -0.115888D+02  0.848949D+01 -0.165592D+02 -0.141121D+01
      6  -0.729445D+01 -0.881915D+01  0.190974D+01 -0.669929D+00  0.146934D+01
                66            67            68            69            70 
      1  -0.104361D+02 -0.111950D+02 -0.329631D+01 -0.409329D+01 -0.875510D+01
      2   0.119684D+01  0.388362D+01  0.131306D+02  0.614307D-01  0.262207D+01
      3   0.923922D+01  0.731133D+01 -0.983432D+01  0.403186D+01  0.613303D+01
      4   0.777297D+00  0.171583D+02 -0.107890D+02  0.973662D+01 -0.226340D+00
      5   0.104312D+02 -0.113861D+02  0.859668D+01 -0.182659D+01  0.925026D+01
      6  -0.331246D+01  0.555540D+01 -0.394902D+01  0.638935D+01 -0.111177D+01
                71            72            73            74            75 
      1  -0.660228D+00  0.148594D+02 -0.538522D+02 -0.155955D+02  0.933578D+01
      2  -0.643623D+01  0.711386D+00  0.220326D+02  0.935464D+01 -0.101543D+01
      3   0.709646D+01 -0.155708D+02  0.318196D+02  0.624083D+01 -0.832035D+01
      4   0.138333D+01  0.229795D+01 -0.201365D+02  0.717645D+01 -0.311317D+01
      5   0.438322D+01 -0.168279D+02  0.131593D+02 -0.428118D+00  0.119647D+02
      6   0.311937D+01  0.895957D+01  0.400320D+01 -0.688043D+01  0.412299D+01
                76            77            78            79            80 
      1  -0.162292D+02  0.184471D+02 -0.417657D+01 -0.211367D-01 -0.589922D+01
      2   0.865515D+01 -0.469961D+01  0.125033D+02  0.891715D+01  0.115172D+02
      3   0.757403D+01 -0.137475D+02 -0.832670D+01 -0.889602D+01 -0.561795D+01
      4   0.700348D+01  0.245335D+01  0.170088D+02 -0.877736D+01  0.129023D+02
      5  -0.326055D+01  0.126691D+02  0.819113D+01  0.242048D+02  0.108820D+02
      6  -0.386141D+01  0.376393D+01 -0.122299D+02  0.847808D+01 -0.796285D+01
                81            82            83            84            85 
      1   0.119337D+02  0.715560D+02 -0.334494D+01  0.942622D+01  0.423199D+01
      2  -0.122253D+02 -0.413132D+02  0.151180D+01 -0.816447D+01 -0.215146D+01
      3   0.291658D+00 -0.302428D+02  0.183314D+01 -0.126175D+01 -0.208053D+01
      4   0.112065D+02 -0.144578D+02  0.721348D+01 -0.386774D+01  0.598355D+01
      5  -0.132084D+02  0.278554D+02 -0.321875D+01  0.131423D+02  0.243059D+00
      6  -0.550671D+01 -0.228602D+01  0.213863D+01 -0.241862D+01  0.173820D+01
                86            87            88            89            90 
      1   0.308489D+01 -0.964824D+00  0.309078D+01 -0.757165D+00  0.432913D+01
      2  -0.389475D+00  0.852372D+00 -0.296384D+01  0.888020D+00 -0.417344D+01
      3  -0.269541D+01  0.112452D+00 -0.126942D+00 -0.130855D+00 -0.155695D+00
      4  -0.171199D+01  0.172110D+00 -0.183365D+01 -0.419868D-01 -0.139722D+01
      5   0.341098D+00  0.246389D+00  0.102437D+02 -0.144388D+01  0.543010D+01
      6  -0.861610D-01  0.119499D+01 -0.151659D+01  0.101710D+01 -0.960552D+00
                91            92            93            94            95 
      1   0.858602D+00  0.257499D+01  0.190176D+01  0.116322D+01 -0.127934D+02
      2   0.166826D+01 -0.196954D+00 -0.140890D+00  0.172479D+01  0.199982D+02
      3  -0.252686D+01 -0.237804D+01 -0.176087D+01 -0.288800D+01 -0.720482D+01
      4   0.757248D+01  0.100495D+02  0.276603D+01  0.103488D+02  0.290279D+02
      5   0.298301D+01  0.276168D+01  0.666908D+01  0.332239D+01  0.788353D+01
      6   0.404811D+01  0.174180D+01  0.119359D+01  0.281118D+01  0.158344D+02
                96            97            98            99           100 
      1  -0.496135D+01  0.581510D+00 -0.638810D+01 -0.509083D+01  0.356420D+01
      2   0.640192D+01  0.635333D+00  0.525730D+01  0.129867D+01 -0.237789D+01
      3  -0.144057D+01 -0.121684D+01  0.113080D+01  0.379216D+01 -0.118630D+01
      4   0.887897D+01  0.319037D+01  0.121000D+02  0.884239D+01 -0.879644D+00
      5   0.894416D+01  0.783595D+01  0.806901D+01  0.768010D+01 -0.223474D+01
      6   0.100843D+02  0.320505D+01  0.119803D+02  0.917947D+01  0.196149D+01
               101           102           103           104           105 
      1  -0.172667D+01 -0.507078D+01 -0.529166D+01 -0.767866D+01 -0.593438D+01
      2   0.744547D+00  0.300348D+00  0.396798D+01  0.612712D-01 -0.658349D+01
      3   0.982124D+00  0.477043D+01  0.132369D+01  0.761739D+01  0.125179D+02
      4  -0.196867D+00  0.446777D+00  0.200111D+01 -0.155423D+02 -0.106940D+02
      5   0.172471D+01 -0.388352D-01  0.757891D+01 -0.890135D+01 -0.150876D+02
      6   0.158958D+01 -0.396116D-02 -0.253541D+00  0.117433D+02  0.976559D+01
               106           107           108           109           110 
      1  -0.363362D+01 -0.395208D+01 -0.105543D+02 -0.140870D+01  0.941202D+01
      2   0.255012D+01 -0.495851D+01 -0.700895D+01  0.184769D+01 -0.646119D+01
      3   0.108351D+01  0.891059D+01  0.175633D+02 -0.438994D+00 -0.295083D+01
      4   0.125956D+01 -0.913900D+01 -0.820599D+01  0.166178D+01 -0.236732D+01
      5   0.426494D+01 -0.696811D+01 -0.137312D+02  0.491695D+00 -0.262702D+00
      6  -0.789834D+00  0.888421D+01  0.743922D+01 -0.360629D+01  0.627225D+01
               111           112           113           114           115 
      1  -0.783739D+01  0.918599D+01 -0.192777D+02  0.122351D+02 -0.391157D+01
      2   0.184991D+01 -0.546537D+01  0.166555D+02 -0.523049D+01  0.734962D+00
      3   0.598748D+01 -0.372062D+01  0.262219D+01 -0.700457D+01  0.317661D+01
      4   0.144944D+01  0.273123D+01  0.155780D+02 -0.100864D+02 -0.111594D+00
      5  -0.246920D+01 -0.436261D+01 -0.745047D+01  0.779285D+01  0.167509D+01
      6  -0.540684D+01  0.183347D+01 -0.180375D+02  0.145156D+02 -0.222268D+01
               116           117           118           119           120 
      1   0.976915D+01 -0.135451D+02  0.811710D+02  0.101874D+02 -0.562775D+01
      2  -0.380872D+01  0.180883D+01 -0.406443D+02 -0.322294D+01  0.659316D+01
      3  -0.596043D+01  0.117363D+02 -0.405267D+02 -0.696445D+01 -0.965409D+00
      4  -0.733411D+01  0.507107D+01  0.244912D+02  0.140275D+02 -0.322010D+01
      5   0.441273D+01 -0.671117D+01 -0.286414D+02 -0.474363D+01  0.149904D+02
      6   0.125190D+02 -0.110524D+02 -0.491235D+01 -0.347051D+01  0.289861D+01
               121           122           123           124           125 
      1   0.944989D+01  0.572579D+01  0.257799D+00  0.419162D+01  0.777193D+00
      2  -0.264863D+01 -0.174463D+01 -0.469114D+00  0.361089D+00 -0.355267D+00
      3  -0.680126D+01 -0.398116D+01  0.211315D+00 -0.455271D+01 -0.421926D+00
      4   0.145268D+02  0.679596D+01 -0.313598D+01  0.146649D+01 -0.338371D+00
      5  -0.364890D+01 -0.422322D+01  0.182616D+01  0.819566D+01  0.526718D+00
      6  -0.277662D+01 -0.201644D+01  0.322613D+01  0.160530D+01  0.203105D+01
               126           127           128           129           130 
      1   0.492022D+01 -0.527880D+01 -0.845197D+01 -0.288909D+01 -0.742366D+01
      2  -0.333808D+01  0.628195D+01  0.989417D+01  0.202736D+01  0.887004D+01
      3  -0.158213D+01 -0.100315D+01 -0.144220D+01  0.861731D+00 -0.144638D+01
      4   0.127420D+01  0.346129D+01  0.675483D+01  0.144652D+01  0.512416D+01
      5  -0.931381D+00  0.111430D+01  0.129292D+01  0.156528D+01  0.113138D+01
      6   0.297142D-01  0.255460D+01  0.385312D+01  0.268826D+01  0.314841D+01
               131           132           133           134           135 
      1  -0.308675D+02 -0.878676D+01 -0.213808D+01 -0.841302D+01 -0.337488D+01
      2   0.396372D+02  0.777707D+01  0.245153D+01  0.975036D+01  0.333231D+01
      3  -0.876975D+01  0.100969D+01 -0.313440D+00 -0.133734D+01  0.425700D-01
      4  -0.746350D+00 -0.668908D+00  0.137513D+01 -0.176286D+00  0.141034D+01
      5  -0.676552D+00 -0.256792D+00  0.108665D+01  0.607087D+00  0.677279D+00
      6   0.133886D+02  0.921765D+01  0.113103D+01  0.499419D+01  0.375889D+01
               136           137           138           139           140 
      1   0.209670D+02 -0.130011D+02 -0.273050D+01 -0.877464D+01  0.290374D+01
      2  -0.386568D+01 -0.116238D+01  0.102931D+01 -0.593245D+01  0.162565D+02
      3  -0.171014D+02  0.141635D+02  0.170119D+01  0.147071D+02 -0.191603D+02
      4  -0.318595D+02  0.291560D+02  0.458931D+01  0.324349D+02 -0.423934D+02
      5  -0.673658D+01  0.474485D+01  0.647845D+01  0.707659D+01 -0.816800D+01
      6   0.258120D+01 -0.228492D+01 -0.334706D+01 -0.444845D+01  0.613848D+01
               141           142           143           144           145 
      1   0.848142D+00 -0.113451D+01  0.127038D+00 -0.336847D+00  0.969936D+02
      2   0.861541D+00 -0.117671D+01  0.283466D+01  0.988727D+00 -0.544158D+02
      3  -0.170968D+01  0.231122D+01 -0.296170D+01 -0.651880D+00 -0.425778D+02
      4  -0.773222D+01  0.626939D+01 -0.809249D+01 -0.330408D+01  0.126714D+02
      5  -0.668332D+01  0.261941D+01 -0.277961D+01 -0.186440D+01  0.928774D+01
      6   0.623098D+01 -0.198780D+01  0.304749D+01  0.213845D+01 -0.218212D+01
               146           147           148           149           150 
      1   0.815557D+01  0.611052D+01  0.688601D+01  0.932466D+01  0.194023D+01
      2  -0.395294D+01 -0.416416D+01 -0.301035D+01 -0.426364D+01 -0.156061D+01
      3  -0.420264D+01 -0.194636D+01 -0.387566D+01 -0.506102D+01 -0.379623D+00
      4   0.961547D+01  0.453812D+00  0.151005D+02  0.405294D+01  0.134821D+01
      5   0.410508D+00  0.109524D+02  0.367255D+01  0.146761D+01  0.148608D+01
      6   0.247639D+00  0.577202D+00  0.785390D+00 -0.174504D+00  0.148706D+01
               151           152           153           154           155 
      1   0.771361D+01  0.221547D+01  0.341203D+01  0.536129D+01  0.441588D+01
      2  -0.432890D+01 -0.125764D+01 -0.232572D+01  0.292120D+01  0.490360D+01
      3  -0.338471D+01 -0.957834D+00 -0.108631D+01 -0.828248D+01 -0.931948D+01
      4   0.407344D+01  0.154402D+01  0.840679D+00  0.182526D+02  0.223459D+02
      5   0.358103D+01  0.563648D+00  0.154934D+01  0.472849D+01  0.525919D+01
      6   0.171275D+00  0.723210D+00  0.393616D+00  0.350688D+01  0.403710D+01
               156           157           158           159           160 
      1   0.104681D+01 -0.731992D+00 -0.151192D+02 -0.376385D+01  0.142377D+00
      2   0.259493D+00  0.105516D+02  0.351125D+02  0.546884D+01  0.206636D+01
      3  -0.130630D+01 -0.981962D+01 -0.199933D+02 -0.170498D+01 -0.220873D+01
      4   0.537168D+01  0.234842D+02  0.445549D+02  0.102399D+02  0.630207D+01
      5   0.501483D+01  0.572248D+01  0.993615D+01  0.695203D+01  0.239343D+01
      6   0.315394D+01  0.561884D+01  0.133426D+02  0.954897D+01  0.238063D+01
               161           162           163           164           165 
      1  -0.327082D+01 -0.235999D+01 -0.291457D+01  0.713224D+01  0.179591D+01
      2   0.734650D+01  0.283563D+01  0.437375D+01 -0.991023D+01 -0.165714D+01
      3  -0.407568D+01 -0.475634D+00 -0.145919D+01  0.277800D+01 -0.138775D+00
      4   0.115005D+02  0.407600D+01 -0.908632D+01  0.756201D+01  0.710041D+00
      5   0.340283D+01  0.272663D+01  0.959491D+00  0.109467D+01  0.222482D+01
      6   0.558499D+01  0.386181D+01  0.245779D+00 -0.181564D+01 -0.283687D+01
               166           167           168           169           170 
      1   0.834005D+01 -0.196401D+02 -0.359251D+01  0.226467D+01 -0.353724D+01
      2  -0.107784D+02  0.261716D+02  0.284354D+01 -0.279407D+01  0.430752D+01
      3   0.243839D+01 -0.653150D+01  0.748968D+00  0.529394D+00 -0.770276D+00
      4   0.727875D+01 -0.793250D+01 -0.101398D+01  0.889087D+00 -0.129385D+01
      5   0.148607D+01 -0.112841D+01 -0.109825D+01  0.176025D+01 -0.755383D+00
      6  -0.270206D+01  0.506634D+01  0.519517D+01 -0.129475D+01  0.237843D+01
               171           172           173           174           175 
      1  -0.599939D+00 -0.299236D+01 -0.245923D+01  0.939057D+01 -0.962423D+00
      2   0.126242D+01 -0.482154D+00  0.292378D+00  0.548178D+00  0.346495D+00
      3  -0.662477D+00  0.347451D+01  0.216685D+01 -0.993875D+01  0.615928D+00
      4  -0.212103D+01  0.280702D+00 -0.172779D+01 -0.877825D-01  0.221652D+01
      5  -0.900908D+00  0.175351D+01  0.112906D+01 -0.397227D+01 -0.498640D+00
      6   0.136995D+01 -0.110047D+01 -0.172539D+01  0.380291D+01 -0.231387D-01
               176           177           178           179           180 
      1  -0.361530D+01  0.467052D+01  0.782352D+01  0.648682D+01 -0.228764D+02
      2   0.148348D+01  0.749209D+00 -0.366666D+01  0.129562D+01 -0.104698D+02
      3   0.213182D+01 -0.541973D+01 -0.415687D+01 -0.778243D+01  0.333462D+02
      4  -0.480588D+01  0.228276D+01 -0.304641D+01  0.396984D+01 -0.723671D+01
      5   0.253303D+01 -0.802460D+01  0.619444D+01 -0.908686D+01  0.295482D+02
      6  -0.320221D+01  0.777334D+01  0.255291D+00  0.766753D+01 -0.154758D+02
 Leave Link  716 at Fri Aug 13 11:10:27 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.131973D+03  0.235858D+00  0.122457D+01
      2   0.235858D+00  0.105961D+03  0.579442D+01
      3   0.122457D+01  0.579442D+01  0.765941D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.163139D+01  0.213585D+01  0.961818D+00
      2   0.401071D+01  0.142639D+02 -0.123621D+02
      3  -0.368983D+01 -0.322048D+02 -0.132861D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.676814D+02  0.482055D+01  0.308365D+01
      2  -0.182494D+02 -0.683703D+01 -0.762646D+01
      3  -0.494320D+02  0.201648D+01  0.454282D+01
      4  -0.599544D+01  0.633460D+02  0.348387D+02
      5   0.192138D+02  0.359623D+02 -0.332977D+02
      6   0.147312D+02  0.495786D+01 -0.382564D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.389031D+01 -0.529207D+00 -0.123180D+00  0.491433D+01  0.287636D+00
      2  -0.529207D+00  0.225899D+01 -0.248188D+00  0.287636D+00  0.141417D+01
      3  -0.123180D+00 -0.248188D+00  0.744923D+00 -0.394615D+00 -0.100214D+01
                 6             7             8             9            10 
      1  -0.394615D+00  0.721582D+00 -0.747317D+00  0.190205D+01  0.384087D+01
      2  -0.100214D+01 -0.747317D+00 -0.130230D+01  0.346602D+01 -0.503774D+00
      3   0.132548D+01  0.190205D+01  0.346602D+01  0.269929D+01  0.170845D+00
                11            12            13            14            15 
      1  -0.503774D+00  0.170845D+00  0.809136D+01 -0.108447D+00  0.171688D+00
      2  -0.329050D+01 -0.664958D+00 -0.108447D+00  0.167323D+01 -0.812912D+00
      3  -0.664958D+00 -0.151831D+01  0.171688D+00 -0.812912D+00  0.141809D+01
                16            17            18            19            20 
      1   0.294602D+01 -0.564570D-01 -0.181530D+01 -0.172200D+02 -0.217816D+01
      2  -0.564570D-01 -0.162350D+01  0.304879D+01 -0.217816D+01 -0.254021D+01
      3  -0.181530D+01  0.304879D+01  0.137237D+01  0.446510D+00  0.695778D-01
                21            22            23            24            25 
      1   0.446510D+00 -0.283061D+01  0.122370D+01  0.159215D+01 -0.100784D+01
      2   0.695778D-01  0.122370D+01 -0.327673D+00 -0.351985D+00  0.144209D+01
      3  -0.187510D+01  0.159215D+01 -0.351985D+00  0.622887D-02 -0.404401D+01
                26            27            28            29            30 
      1   0.144209D+01 -0.404401D+01  0.510310D+01  0.241758D+01  0.563683D+00
      2  -0.566442D+00 -0.484182D+00  0.241758D+01 -0.224700D+01 -0.219133D+00
      3  -0.484182D+00 -0.650433D+00  0.563683D+00 -0.219133D+00 -0.826055D+00
                31            32            33            34            35 
      1  -0.683140D+01 -0.674186D+00  0.252706D+00 -0.808504D+00  0.903542D+00
      2  -0.674186D+00 -0.199451D+01  0.115110D+01  0.903542D+00  0.129462D+01
      3   0.252706D+00  0.115110D+01 -0.133299D+01 -0.784581D+00 -0.337036D+01
                36            37            38            39            40 
      1  -0.784581D+00 -0.243076D+01 -0.799157D+00 -0.320597D+00 -0.539390D+01
      2  -0.337036D+01 -0.799157D+00  0.262852D+01  0.821204D+00 -0.700693D+00
      3  -0.297650D+01 -0.320597D+00  0.821204D+00  0.161875D+01 -0.102472D+01
                41            42            43            44            45 
      1  -0.700693D+00 -0.102472D+01 -0.178576D+01 -0.733958D+00  0.283972D+01
      2  -0.106811D+01  0.121484D+01 -0.733958D+00  0.176878D+01 -0.294858D+01
      3   0.121484D+01 -0.124755D+01  0.283972D+01 -0.294858D+01 -0.143127D+01
                46            47            48            49            50 
      1   0.592605D+01  0.411555D+00 -0.406770D+00  0.877851D+00 -0.328981D+00
      2   0.411555D+00  0.320998D+01  0.246724D+00 -0.328981D+00  0.213866D+00
      3  -0.406770D+00  0.246724D+00  0.223060D+01 -0.139329D+01 -0.571474D+00
                51            52            53            54            55 
      1  -0.139329D+01 -0.372830D-01 -0.142550D+01  0.522434D+01  0.380237D+01
      2  -0.571474D+00 -0.142550D+01  0.570734D-02  0.424249D+00  0.593763D+00
      3  -0.293727D-01  0.522434D+01  0.424249D+00  0.773967D+00 -0.114414D+01
                56            57            58            59            60 
      1   0.593763D+00 -0.114414D+01  0.360831D+00  0.218969D+01 -0.228546D+01
      2   0.885645D+00 -0.104339D+01  0.218969D+01  0.479474D+01  0.346668D+01
      3  -0.104339D+01  0.237898D+01 -0.228546D+01  0.346668D+01  0.892073D+00
                61            62            63            64            65 
      1  -0.518876D+01 -0.174246D+01  0.470671D+01  0.722364D+01  0.110423D+01
      2  -0.174246D+01  0.293107D+01  0.250731D+01  0.110423D+01 -0.591451D+00
      3   0.470671D+01  0.250731D+01 -0.189246D+01  0.134092D+01  0.609015D+00
                66            67            68            69            70 
      1   0.134092D+01  0.362504D+01 -0.176147D+01  0.157546D+01  0.176386D+01
      2   0.609015D+00 -0.176147D+01  0.118878D+01 -0.158884D+01  0.311670D+00
      3  -0.181410D+01  0.157546D+01 -0.158884D+01 -0.166486D+00 -0.150330D+01
                71            72            73            74            75 
      1   0.311670D+00 -0.150330D+01  0.861699D+01  0.193153D+01 -0.146172D-01
      2   0.126795D+00 -0.124995D+01  0.193153D+01 -0.193475D+01  0.111449D+01
      3  -0.124995D+01  0.506136D+01 -0.146172D-01  0.111449D+01 -0.271083D+01
                76            77            78            79            80 
      1   0.154336D+01 -0.180340D+01  0.148316D+01  0.541259D+01  0.181157D+01
      2  -0.180340D+01  0.321465D+00 -0.409207D+01  0.181157D+01 -0.284325D+01
      3   0.148316D+01 -0.409207D+01 -0.122971D+01 -0.420921D+01 -0.172895D+01
                81            82            83            84            85 
      1  -0.420921D+01 -0.122752D+02  0.913678D+00 -0.223574D+01 -0.137169D+00
      2  -0.172895D+01  0.913678D+00 -0.848526D+00  0.469992D+00 -0.600980D+00
      3   0.156677D+01 -0.223574D+01  0.469992D+00 -0.158617D+01  0.349346D-01
                86            87            88            89            90 
      1  -0.600980D+00  0.349346D-01 -0.387554D+00  0.168833D+00 -0.101181D+01
      2   0.486965D+00  0.926854D-01  0.168833D+00  0.319967D+00  0.208433D+00
      3   0.926854D-01 -0.437546D-01 -0.101181D+01  0.208433D+00 -0.612804D+00
                91            92            93            94            95 
      1   0.842653D-02 -0.132811D+01 -0.527880D+00 -0.265176D+01 -0.137928D+01
      2  -0.132811D+01 -0.104011D+01 -0.253796D+00 -0.137928D+01 -0.655726D+01
      3  -0.527880D+00 -0.253796D+00 -0.874754D+00 -0.430453D+00 -0.206219D+01
                96            97            98            99           100 
      1  -0.430453D+00 -0.649462D+00 -0.343807D+00 -0.120336D+01 -0.369880D+00
      2  -0.206219D+01 -0.343807D+00 -0.275177D+01 -0.204251D+01  0.504524D+00
      3  -0.212514D+01 -0.120336D+01 -0.204251D+01 -0.195857D+01  0.369265D+00
               101           102           103           104           105 
      1   0.504524D+00  0.369265D+00  0.168206D+01 -0.466415D-01 -0.777945D+00
      2   0.375706D+00  0.989191D-02 -0.466415D-01  0.312853D+01  0.222221D+01
      3   0.989191D-02  0.834539D+00 -0.777945D+00  0.222221D+01  0.339534D+01
               106           107           108           109           110 
      1   0.668941D+00 -0.264311D+00 -0.826055D-01  0.291667D+00 -0.992548D+00
      2  -0.264311D+00  0.188241D+01  0.163220D+01 -0.992548D+00  0.142935D+01
      3  -0.826055D-01  0.163220D+01  0.346768D+01  0.513003D+00 -0.947878D+00
               111           112           113           114           115 
      1   0.513003D+00 -0.159199D+01  0.477734D+00 -0.159237D+00  0.294724D+00
      2  -0.947878D+00  0.477734D+00 -0.441737D+01  0.271462D+01 -0.341643D+00
      3   0.160095D+01 -0.159237D+00  0.271462D+01 -0.253009D+01  0.496428D+00
               116           117           118           119           120 
      1  -0.341643D+00  0.496428D+00 -0.133424D+02 -0.205986D+01  0.177222D+01
      2   0.198761D+01 -0.168546D+01 -0.205986D+01 -0.127715D+01  0.359575D+00
      3  -0.168546D+01  0.251438D+01  0.177222D+01  0.359575D+00 -0.162172D+01
               121           122           123           124           125 
      1  -0.199419D+01 -0.149267D+01  0.188217D+00 -0.930973D+00 -0.213731D+00
      2  -0.149267D+01 -0.823535D+00  0.597688D+00 -0.213731D+00  0.761146D-01
      3   0.188217D+00  0.597688D+00 -0.225544D+00 -0.724794D+00 -0.243620D-01
               126           127           128           129           130 
      1  -0.724794D+00 -0.160955D+01 -0.166266D+01 -0.520551D+00 -0.153701D+01
      2  -0.243620D-01 -0.166266D+01 -0.207254D+01 -0.616657D+00 -0.192985D+01
      3  -0.106928D+00 -0.520551D+00 -0.616657D+00 -0.423834D+00 -0.539584D+00
               131           132           133           134           135 
      1  -0.192985D+01 -0.539584D+00 -0.630427D+00 -0.677607D+00 -0.104357D+00
      2  -0.778446D+01 -0.202930D+01 -0.677607D+00 -0.216648D+01 -0.598911D+00
      3  -0.202930D+01 -0.140678D+01 -0.104357D+00 -0.598911D+00 -0.421839D+00
               136           137           138           139           140 
      1   0.476327D+01 -0.371513D+01 -0.715779D+00 -0.364376D+01  0.427356D+01
      2  -0.371513D+01  0.338723D+01  0.534601D+00  0.427356D+01 -0.634152D+01
      3  -0.715779D+00  0.534601D+00  0.662261D+00  0.943040D+00 -0.119457D+01
               141           142           143           144           145 
      1   0.943040D+00 -0.703952D+00  0.808439D+00  0.201976D+00  0.129015D+02
      2  -0.119457D+01  0.808439D+00 -0.140883D+01 -0.305849D+00  0.116885D+01
      3  -0.101606D+01  0.201976D+00 -0.305849D+00 -0.242084D+00  0.961016D+00
               146           147           148           149           150 
      1   0.116885D+01  0.961016D+00  0.111374D+01  0.161202D+01  0.460255D+00
      2   0.888096D+00  0.467961D-01  0.161202D+01  0.454619D+00  0.150349D+00
      3   0.467961D-01  0.102814D+01  0.460255D+00  0.150349D+00  0.163395D+00
               151           152           153           154           155 
      1   0.107134D+01  0.464364D+00  0.121890D+00  0.225976D+01  0.254509D+01
      2   0.464364D+00  0.131597D+00  0.326953D-01  0.254509D+01  0.273483D+01
      3   0.121890D+00  0.326953D-01  0.152583D+00  0.732136D+00  0.708110D+00
               156           157           158           159           160 
      1   0.732136D+00  0.229720D+01  0.362208D+01  0.947391D+00  0.729881D+00
      2   0.708110D+00  0.362208D+01  0.885569D+01  0.210487D+01  0.102558D+01
      3   0.556737D+00  0.947391D+00  0.210487D+01  0.142943D+01  0.294887D+00
               161           162           163           164           165 
      1   0.102558D+01  0.294887D+00 -0.421385D+01  0.211089D+01 -0.109968D+00
      2   0.224748D+01  0.603437D+00  0.211089D+01 -0.252120D+01 -0.330979D+00
      3   0.603437D+00  0.429185D+00 -0.109968D+00 -0.330979D+00 -0.587128D+00
               166           167           168           169           170 
      1   0.220552D+01 -0.265123D+01 -0.593753D+00 -0.137298D+00 -0.500158D+00
      2  -0.265123D+01  0.555450D+01  0.888229D+00 -0.500158D+00  0.111208D+01
      3  -0.593753D+00  0.888229D+00  0.888615D+00 -0.173268D+00  0.218626D+00
               171           172           173           174           175 
      1  -0.173268D+00  0.614270D+00  0.669035D-01 -0.750365D+00 -0.995009D-01
      2   0.218626D+00  0.669035D-01  0.565094D+00 -0.664995D+00 -0.208600D+00
      3   0.167985D+00 -0.750365D+00 -0.664995D+00  0.218214D+01 -0.499443D-01
               176           177           178           179           180 
      1  -0.208600D+00 -0.499443D-01 -0.134113D+01  0.110872D+00 -0.131405D+00
      2   0.122790D+01 -0.897789D+00  0.110872D+00 -0.122165D+01  0.229735D+01
      3  -0.897789D+00  0.183483D+01 -0.131405D+00  0.229735D+01 -0.791269D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.102467D-01  0.983796D+00 -0.153758D+01  0.165129D+01 -0.172335D-01
      2  -0.767605D+00  0.272534D+01  0.122211D+01  0.156274D+01 -0.308942D+01
      3   0.207056D+01 -0.126536D+02 -0.245438D+01  0.311082D+01 -0.124382D+01
                 6             7             8             9            10 
      1  -0.218175D+01 -0.511448D+01  0.606267D+00 -0.113804D+01 -0.652534D+00
      2   0.321132D+01 -0.804884D+01  0.831171D+01  0.481419D+01  0.143381D+01
      3   0.178801D+01 -0.614192D+00  0.369142D+01 -0.418144D+01  0.180352D+01
                11            12            13            14            15 
      1   0.739226D-02  0.188785D+01 -0.874569D+00 -0.182390D-01 -0.233184D+01
      2   0.377332D+00 -0.112909D+01  0.418418D+01  0.786224D+00  0.108710D+01
      3   0.500727D+00  0.129686D+01  0.284733D+01 -0.695506D+01  0.102790D+01
                16            17            18            19            20 
      1   0.691616D+01  0.343334D+01  0.454116D+00 -0.937163D+00 -0.287231D+00
      2  -0.122392D+02  0.214889D+00  0.287006D+00 -0.369784D+01 -0.131115D+01
      3  -0.872908D+00 -0.663629D+00 -0.611986D+01  0.266686D+00  0.757821D+01
                21            22            23            24            25 
      1   0.331931D+00 -0.112597D+01 -0.348823D+01  0.580176D+00 -0.486253D+00
      2  -0.198082D+01 -0.155344D+01  0.703127D+00 -0.435070D-02 -0.140571D+02
      3   0.926426D+00  0.171151D+02  0.202278D+01 -0.197723D+01  0.236773D+00
                26            27            28            29            30 
      1   0.947752D+01  0.224876D+01  0.174147D-01  0.128796D+01 -0.135180D+01
      2   0.255397D+00  0.119071D+00  0.385373D+01  0.166910D+01 -0.214958D+00
      3  -0.395298D-02  0.548102D+00 -0.569951D+01 -0.344645D+01 -0.216902D+01
                31            32            33            34            35 
      1   0.109276D+01  0.804397D+00 -0.225557D+01 -0.505058D+01  0.116791D+01
      2   0.196146D+01 -0.805370D+00 -0.124448D+01 -0.137428D+02 -0.126708D+01
      3   0.338635D+01  0.679929D+01  0.131024D+00 -0.304842D+01 -0.139574D+01
                36            37            38            39            40 
      1  -0.543913D+00 -0.436116D+00 -0.781476D+00  0.203554D+01 -0.164436D+01
      2  -0.330289D+01 -0.126940D+01  0.189016D+01  0.273969D+01 -0.128949D+01
      3   0.513948D+01  0.404194D+01 -0.101821D+02 -0.200452D+01  0.672035D+01
                41            42            43            44            45 
      1  -0.351523D+00 -0.164871D+01  0.683348D+01  0.333853D+01  0.132937D+01
      2   0.342964D+01 -0.379854D+01 -0.363511D+01 -0.992656D+01 -0.386853D+01
      3   0.153554D+01 -0.202382D+01  0.292412D+00 -0.325392D+01  0.401996D+01
                46            47            48            49            50 
      1   0.318185D+00 -0.638059D+00 -0.712445D+00 -0.805037D+00 -0.285115D+01
      2   0.513219D+00 -0.125345D+00  0.597091D+01 -0.493737D+01  0.255308D-01
      3  -0.229855D+01 -0.649209D+01 -0.620562D-01  0.112012D+02 -0.162292D+01
                51            52            53            54            55 
      1   0.746692D+00 -0.200791D+01  0.111198D+02  0.296575D+01 -0.908219D+00
      2   0.639986D+00  0.728480D+01  0.236938D+01  0.173664D+01  0.295920D+01
      3   0.935787D+00  0.413237D+01  0.388906D+00 -0.644025D+00 -0.372639D+00
                56            57            58            59            60 
      1  -0.701105D+00 -0.848884D+00  0.267370D+01  0.320802D+01  0.604984D+00
      2   0.129318D+01 -0.210508D+01  0.246840D+01 -0.715653D+01 -0.184973D+01
      3  -0.112534D+01  0.646576D+00  0.856781D+01  0.608157D+01  0.747504D+01
                61            62            63            64            65 
      1   0.268490D+01  0.411807D+01 -0.181901D+01 -0.248402D+01  0.194577D+01
      2  -0.155080D+02 -0.614118D+01  0.335004D+01  0.217715D+01 -0.140238D+01
      3   0.282933D+00  0.107485D+02  0.336543D+01  0.167496D+02 -0.661502D+01
                66            67            68            69            70 
      1   0.230980D+01 -0.414696D+00 -0.249572D+01 -0.259976D+01 -0.106240D+01
      2   0.905525D+01 -0.466333D-04  0.207872D+01  0.111457D+01  0.614986D+00
      3   0.488104D+01  0.316224D+01  0.418089D+01 -0.305513D+01  0.288848D+01
                71            72            73            74            75 
      1   0.606987D+01 -0.739389D+01  0.333165D+01 -0.300698D+01 -0.372137D+00
      2   0.459322D+01 -0.135502D+02 -0.124909D+02 -0.545179D+01  0.102711D+02
      3  -0.494009D+00 -0.461963D+01  0.284893D+00 -0.957935D+01  0.196625D+01
                76            77            78            79            80 
      1  -0.460381D+00 -0.127076D+01 -0.107774D+02 -0.131175D+01 -0.553015D+01
      2  -0.531547D+01  0.131656D+02  0.189362D+01  0.749874D+01  0.326542D+01
      3  -0.286207D+01  0.241272D+01 -0.136174D+02  0.886498D+00 -0.121952D+02
                81            82            83            84            85 
      1  -0.573106D+00  0.177256D+01  0.903034D+00  0.107390D+01 -0.493634D-01
      2   0.501976D+00 -0.465161D+01 -0.333169D+00  0.467994D+01 -0.713359D+00
      3  -0.165580D+01 -0.106843D+02 -0.439950D+01 -0.126731D+01 -0.138211D+01
                86            87            88            89            90 
      1  -0.261626D+00 -0.543348D+00  0.139402D+00  0.156100D+00  0.129104D+00
      2  -0.653753D+00  0.796344D+00  0.961403D+00 -0.795753D-02  0.882069D+00
      3   0.623749D+00  0.759275D+00 -0.266557D+00  0.553545D+00 -0.343605D+00
                91            92            93            94            95 
      1  -0.562992D+00 -0.162907D+00 -0.745942D+00 -0.894107D+00  0.268392D+00
      2   0.113594D+01  0.168890D+00  0.231020D+01 -0.691842D+00  0.388598D+01
      3  -0.342969D+01 -0.199670D+01 -0.251086D+00  0.322183D+01 -0.123664D+02
                96            97            98            99           100 
      1  -0.417040D+01 -0.806999D+00  0.271103D+00 -0.212387D+01  0.150259D+01
      2   0.392248D+01  0.211033D+00  0.303995D+01  0.319867D+01 -0.161862D+01
      3  -0.390190D+01  0.113717D+01 -0.552434D+01 -0.308791D+01  0.226886D+01
               101           102           103           104           105 
      1   0.134054D+01  0.189160D+00  0.441998D+00  0.756507D+01  0.342165D+01
      2  -0.953688D+00 -0.177829D+01 -0.165543D+01 -0.643200D+01 -0.782753D+01
      3   0.986867D+00  0.109942D-01  0.182758D+01  0.885939D+01  0.641129D+01
               106           107           108           109           110 
      1  -0.340973D+00  0.567951D+01  0.430720D+01 -0.153646D+01  0.220519D+01
      2  -0.235255D+01 -0.413811D+01 -0.818395D+01 -0.314609D+01  0.330446D+01
      3  -0.462732D+00  0.530254D+01  0.464736D+01 -0.421246D+01  0.415587D+01
               111           112           113           114           115 
      1   0.660816D+00  0.121474D+01 -0.508288D+01  0.134239D+00  0.274308D+00
      2  -0.335910D+01  0.362129D+01 -0.781035D+01  0.614736D+01 -0.346020D+01
      3  -0.230081D+01  0.523513D+01 -0.111288D+02  0.688806D+01 -0.138909D+01
               116           117           118           119           120 
      1   0.333125D+01 -0.497160D-01 -0.116831D+01 -0.200923D+01 -0.135145D+01
      2   0.463729D+01 -0.630973D+01  0.101366D+02  0.121931D+01  0.626177D+01
      3   0.520402D+01 -0.483317D+01  0.331553D+01 -0.560194D+01  0.645430D-01
               121           122           123           124           125 
      1  -0.163065D+01 -0.467697D+00 -0.178222D+00 -0.777011D+00  0.103163D+01
      2   0.182417D+01 -0.306449D+00  0.863503D+00  0.107038D+01 -0.107085D+00
      3  -0.172243D+01 -0.157670D+01  0.165872D+01 -0.915079D-01  0.121264D+01
               126           127           128           129           130 
      1  -0.284612D+00  0.127298D+00  0.336281D+00 -0.152809D+01  0.107284D+00
      2   0.110481D+01 -0.173571D+01 -0.114577D+01 -0.239483D-01 -0.169882D+01
      3   0.761854D+00  0.616976D+01  0.341805D+01  0.128106D+01  0.671633D+01
               131           132           133           134           135 
      1   0.793515D+00 -0.395031D+01  0.604828D+00  0.223563D+01 -0.593107D+00
      2  -0.228128D+01 -0.138075D+00 -0.186390D+01 -0.610656D+00  0.402988D-01
      3   0.810207D+01  0.254083D+01  0.233109D+01  0.230528D+01  0.351368D+00
               136           137           138           139           140 
      1   0.171166D+00 -0.628686D+00  0.219358D+01  0.288683D+00  0.318669D+00
      2  -0.239457D-01  0.495437D-01  0.285348D+01  0.915307D+00 -0.168982D+01
      3   0.149101D+01 -0.465229D+01 -0.282125D+00 -0.328640D+01  0.106903D+02
               141           142           143           144           145 
      1  -0.325175D+01 -0.946878D+00  0.147032D+01 -0.402745D+00 -0.135862D+00
      2  -0.357813D+01 -0.730730D+00  0.448234D+00 -0.477071D+00  0.115724D+01
      3   0.156951D+01 -0.941856D+00  0.255028D+01  0.381186D+00 -0.472483D+00
               146           147           148           149           150 
      1   0.373377D+00 -0.585880D+00  0.268097D-01  0.252250D-01 -0.394006D+00
      2  -0.907828D-01  0.628282D+01  0.166435D+01  0.357866D+00  0.886391D+00
      3  -0.530976D+01  0.163362D+00 -0.377403D+01 -0.126895D+01 -0.371780D+00
               151           152           153           154           155 
      1   0.365136D+00  0.472709D+00 -0.463002D-01 -0.206563D+00  0.126341D+00
      2  -0.239888D+01 -0.119254D+00  0.424419D+00  0.309852D+00  0.577928D+00
      3  -0.143778D+01 -0.773508D+00 -0.606079D-01 -0.736485D+00 -0.247546D+01
               156           157           158           159           160 
      1  -0.168037D+01 -0.240591D+00  0.521104D+00 -0.430209D+01  0.583640D+00
      2   0.168562D+01  0.538752D+00  0.302683D+01  0.354480D+01 -0.435113D+00
      3  -0.408098D+00 -0.119053D+01 -0.128535D+02 -0.275002D+01 -0.365110D+00
               161           162           163           164           165 
      1   0.185474D+01 -0.704136D+00  0.146208D+01 -0.750687D+00  0.255372D+01
      2   0.168433D+00  0.905334D+00  0.260228D+01 -0.839010D+00  0.818631D+00
      3  -0.339382D+01 -0.735973D+00 -0.117941D+02  0.340751D+01 -0.778200D+00
               166           167           168           169           170 
      1   0.177299D+00  0.799422D-01 -0.296268D+01  0.132472D+00  0.184178D+01
      2  -0.876364D+00  0.124978D+01 -0.871063D+00 -0.132790D+01  0.443473D+00
      3   0.623732D+01 -0.474480D+01 -0.141378D+01 -0.109757D+01 -0.135146D+01
               171           172           173           174           175 
      1  -0.531182D-01  0.315048D+00 -0.543323D+00 -0.252172D+01 -0.146531D+00
      2  -0.345012D+00  0.373431D+01  0.127582D+01 -0.526098D+01 -0.900945D-02
      3  -0.315464D+00  0.111614D+01  0.149858D+01 -0.215733D+01  0.856195D+00
               176           177           178           179           180 
      1  -0.177287D+00 -0.223910D+01 -0.507383D+00  0.837828D+00  0.718908D+01
      2   0.151571D+01 -0.479557D+01 -0.382914D+01 -0.554988D+01  0.180603D+02
      3   0.257301D+01 -0.146179D+01 -0.160001D+01 -0.290755D+01  0.738274D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.830296D+01 -0.209814D+02 -0.333709D+01  0.209628D+02  0.118891D+02
      2  -0.835216D+01  0.141600D+02  0.109775D+01 -0.171339D+02 -0.138878D+02
      3   0.491936D-01  0.682133D+01  0.223934D+01 -0.382892D+01  0.199879D+01
      4  -0.149242D+02 -0.557936D+01 -0.381381D+01  0.104175D+02 -0.191790D+01
      5  -0.618237D+01 -0.202764D+01 -0.894051D+00  0.352713D+00 -0.673926D+01
      6  -0.516780D+01 -0.619659D+00  0.317064D+01 -0.513442D+01 -0.109868D+02
                 6             7             8             9            10 
      1   0.442583D+01  0.506174D+01  0.119137D+01 -0.524705D+01 -0.114007D+01
      2  -0.634198D+01 -0.809823D+01 -0.927993D+01 -0.488171D+01  0.300779D+00
      3   0.191615D+01  0.303649D+01  0.808856D+01  0.101288D+02  0.839291D+00
      4  -0.613135D+01 -0.291034D+01 -0.103770D+02  0.131909D+02  0.111179D+02
      5   0.683663D+01  0.118562D+02  0.136057D+02  0.979115D+01  0.320404D+01
      6   0.274657D+01  0.604203D+01  0.128157D+02  0.347289D+01  0.269705D+01
                11            12            13            14            15 
      1   0.163580D+02  0.408697D+01 -0.467393D+01  0.194150D+01  0.442788D+01
      2  -0.126812D+02 -0.272927D+00  0.124604D+02 -0.391066D+01 -0.344473D+01
      3  -0.367676D+01 -0.381404D+01 -0.778644D+01  0.196915D+01 -0.983155D+00
      4  -0.102128D+02 -0.707191D+00  0.404979D+01  0.131874D+02  0.256020D+01
      5  -0.169222D+01 -0.179004D+01  0.355225D+01  0.265314D+01  0.225939D+00
      6  -0.183120D+01 -0.420745D+01  0.873716D+01 -0.562455D+01  0.430862D+01
                16            17            18            19            20 
      1  -0.181833D+01  0.568862D+01 -0.138061D+02 -0.197986D+02 -0.247961D+01
      2   0.749265D+01 -0.846803D+01  0.180609D+01  0.525141D+01  0.184180D+01
      3  -0.567432D+01  0.277941D+01  0.120000D+02  0.145472D+02  0.637807D+00
      4   0.295298D+01  0.203332D+01  0.348973D+01  0.489385D+01  0.195201D+01
      5   0.307340D+01  0.215442D+01 -0.230681D+00 -0.817550D+01 -0.120116D+01
      6  -0.339226D+01  0.112168D+02 -0.144074D-01 -0.405536D+01  0.411235D+00
                21            22            23            24            25 
      1  -0.248701D+01  0.248124D+01 -0.981017D+01 -0.163872D+01 -0.505575D+01
      2  -0.219603D-01 -0.426761D+01  0.139209D+02  0.718410D+01 -0.121262D+01
      3   0.250897D+01  0.178637D+01 -0.411075D+01 -0.554537D+01  0.626837D+01
      4  -0.534823D+00 -0.103512D+02 -0.222731D+01  0.106877D+01 -0.598374D+01
      5   0.271748D+00 -0.595428D+01  0.101685D+01 -0.391687D+00  0.506064D+01
      6   0.113523D+01 -0.342729D+01  0.587289D+01 -0.197033D+00  0.225584D+00
                26            27            28            29            30 
      1  -0.230817D+01 -0.873577D+01  0.117987D+02 -0.105570D+02 -0.836782D+00
      2   0.478950D+01 -0.332598D+01 -0.804248D+01  0.866586D+01 -0.114860D+00
      3  -0.248133D+01  0.120618D+02 -0.375619D+01  0.189115D+01  0.951642D+00
      4   0.125674D+01  0.105523D+01 -0.809475D+01 -0.176863D+02 -0.396334D+01
      5   0.835860D+00 -0.101628D+01  0.133220D+01 -0.270517D+01 -0.345685D+01
      6   0.585167D+01 -0.345581D+01 -0.165783D+01 -0.786075D+00  0.305462D+01
                31            32            33            34            35 
      1  -0.242973D+00  0.814990D+01  0.594486D+01  0.254828D+01  0.417969D+01
      2  -0.802774D+01 -0.104610D+02 -0.754561D+01 -0.514593D+01 -0.114123D+02
      3   0.827071D+01  0.231107D+01  0.160075D+01  0.259764D+01  0.723256D+01
      4   0.110461D+02 -0.127787D+02 -0.204153D+01 -0.398766D+00 -0.281915D+01
      5  -0.560878D+00 -0.246595D+01 -0.846142D+00  0.311003D+01 -0.528422D+01
      6  -0.587934D+01 -0.107862D+02  0.232467D+01  0.156758D+01  0.127125D+02
                36            37            38            39            40 
      1  -0.150813D+02 -0.175246D+01  0.224906D+02  0.602113D+01 -0.267094D+02
      2   0.149363D+00 -0.192260D+01 -0.147973D+02 -0.106102D+01  0.233848D+02
      3   0.149320D+02  0.367506D+01 -0.769328D+01 -0.496011D+01  0.332460D+01
      4  -0.667062D+01  0.157742D+02  0.356294D+01  0.223946D+01  0.242740D+01
      5  -0.474837D+01  0.419672D+00  0.429748D+00  0.535586D+01 -0.597835D+01
      6   0.472894D+01  0.250672D+00 -0.225688D+01 -0.523640D+01  0.772058D+01
                41            42            43            44            45 
      1   0.520194D+01  0.623179D+00 -0.892573D+01  0.434711D+01  0.246702D+01
      2  -0.763473D+01 -0.116622D+01  0.114802D+02 -0.817861D+01 -0.813775D+01
      3   0.243278D+01  0.543046D+00 -0.255442D+01  0.383150D+01  0.567073D+01
      4   0.880891D+01  0.970395D+01 -0.187289D+01  0.101305D+02 -0.140316D+02
      5   0.810770D+01 -0.726691D+01  0.183893D+02 -0.145014D+02 -0.914837D+01
      6  -0.680354D+01  0.311209D+01 -0.650545D+01  0.109483D+02 -0.865999D+00
                46            47            48            49            50 
      1  -0.986974D+01 -0.296843D+01 -0.471720D+01  0.942695D+01 -0.210587D+02
      2   0.735815D+01  0.242276D+01  0.221283D+01 -0.746856D+01  0.172898D+02
      3   0.251159D+01  0.545669D+00  0.250437D+01 -0.195838D+01  0.376898D+01
      4  -0.184741D+01  0.215736D+02  0.142994D+01 -0.181648D+02 -0.379094D+01
      5  -0.353054D+01  0.114163D+01  0.139626D+02 -0.135976D+02 -0.131843D+01
      6   0.148790D+01  0.501973D+00  0.169394D+01 -0.341936D+01  0.394147D+01
                51            52            53            54            55 
      1  -0.899397D+01 -0.346956D+01 -0.993234D+01  0.139312D+02  0.111870D+02
      2   0.992111D+01 -0.960892D+00  0.723210D+01 -0.160467D+02 -0.300551D+01
      3  -0.927142D+00  0.443045D+01  0.270024D+01  0.211546D+01 -0.818145D+01
      4  -0.410113D+01 -0.145143D+02 -0.168577D+01  0.211867D+01  0.100270D+01
      5   0.565236D+00  0.344499D+02  0.320088D+01  0.465124D+01  0.599617D+01
      6  -0.101065D+01  0.128959D+01  0.525114D+01 -0.411615D+01  0.230129D+01
                56            57            58            59            60 
      1   0.712745D+00 -0.151326D+01  0.994940D+01  0.584796D+01  0.766978D+01
      2   0.227782D+01 -0.131870D+01 -0.664585D+01 -0.114450D+02 -0.145563D+02
      3  -0.299057D+01  0.283196D+01 -0.330355D+01  0.559699D+01  0.688648D+01
      4  -0.828967D+01  0.342207D+01 -0.128442D+02 -0.195873D+02 -0.161702D+02
      5   0.349606D+01 -0.138084D+02  0.151095D+02 -0.141332D+02 -0.158474D+01
      6  -0.591970D+00 -0.722274D+00 -0.479844D+01 -0.116307D+02 -0.708946D+01
                61            62            63            64            65 
      1   0.462889D+01  0.647299D+01 -0.530680D+01 -0.367889D+02  0.440889D+00
      2  -0.977994D+01 -0.492651D+01  0.667726D+01  0.244041D+02 -0.384148D+01
      3   0.515105D+01 -0.154648D+01 -0.137046D+01  0.123848D+02  0.340059D+01
      4   0.118968D+02 -0.155225D+02 -0.119066D+02  0.341882D+00  0.110313D+02
      5  -0.272722D+02 -0.115888D+02  0.848949D+01 -0.165592D+02 -0.141121D+01
      6  -0.729445D+01 -0.881915D+01  0.190974D+01 -0.669929D+00  0.146934D+01
                66            67            68            69            70 
      1  -0.104361D+02 -0.111950D+02 -0.329631D+01 -0.409329D+01 -0.875510D+01
      2   0.119684D+01  0.388362D+01  0.131306D+02  0.614307D-01  0.262207D+01
      3   0.923922D+01  0.731133D+01 -0.983432D+01  0.403186D+01  0.613303D+01
      4   0.777297D+00  0.171583D+02 -0.107890D+02  0.973662D+01 -0.226340D+00
      5   0.104312D+02 -0.113861D+02  0.859668D+01 -0.182659D+01  0.925026D+01
      6  -0.331246D+01  0.555540D+01 -0.394902D+01  0.638935D+01 -0.111177D+01
                71            72            73            74            75 
      1  -0.660228D+00  0.148594D+02 -0.538522D+02 -0.155955D+02  0.933578D+01
      2  -0.643623D+01  0.711386D+00  0.220326D+02  0.935464D+01 -0.101543D+01
      3   0.709646D+01 -0.155708D+02  0.318196D+02  0.624083D+01 -0.832035D+01
      4   0.138333D+01  0.229795D+01 -0.201365D+02  0.717645D+01 -0.311317D+01
      5   0.438322D+01 -0.168279D+02  0.131593D+02 -0.428118D+00  0.119647D+02
      6   0.311937D+01  0.895957D+01  0.400320D+01 -0.688043D+01  0.412299D+01
                76            77            78            79            80 
      1  -0.162292D+02  0.184471D+02 -0.417657D+01 -0.211367D-01 -0.589922D+01
      2   0.865515D+01 -0.469961D+01  0.125033D+02  0.891715D+01  0.115172D+02
      3   0.757403D+01 -0.137475D+02 -0.832670D+01 -0.889602D+01 -0.561795D+01
      4   0.700348D+01  0.245335D+01  0.170088D+02 -0.877736D+01  0.129023D+02
      5  -0.326055D+01  0.126691D+02  0.819113D+01  0.242048D+02  0.108820D+02
      6  -0.386141D+01  0.376393D+01 -0.122299D+02  0.847808D+01 -0.796285D+01
                81            82            83            84            85 
      1   0.119337D+02  0.715560D+02 -0.334494D+01  0.942622D+01  0.423199D+01
      2  -0.122253D+02 -0.413132D+02  0.151180D+01 -0.816447D+01 -0.215146D+01
      3   0.291658D+00 -0.302428D+02  0.183314D+01 -0.126175D+01 -0.208053D+01
      4   0.112065D+02 -0.144578D+02  0.721348D+01 -0.386774D+01  0.598355D+01
      5  -0.132084D+02  0.278554D+02 -0.321875D+01  0.131423D+02  0.243059D+00
      6  -0.550671D+01 -0.228602D+01  0.213863D+01 -0.241862D+01  0.173820D+01
                86            87            88            89            90 
      1   0.308489D+01 -0.964824D+00  0.309078D+01 -0.757165D+00  0.432913D+01
      2  -0.389475D+00  0.852372D+00 -0.296384D+01  0.888020D+00 -0.417344D+01
      3  -0.269541D+01  0.112452D+00 -0.126942D+00 -0.130855D+00 -0.155695D+00
      4  -0.171199D+01  0.172110D+00 -0.183365D+01 -0.419868D-01 -0.139722D+01
      5   0.341098D+00  0.246389D+00  0.102437D+02 -0.144388D+01  0.543010D+01
      6  -0.861610D-01  0.119499D+01 -0.151659D+01  0.101710D+01 -0.960552D+00
                91            92            93            94            95 
      1   0.858602D+00  0.257499D+01  0.190176D+01  0.116322D+01 -0.127934D+02
      2   0.166826D+01 -0.196954D+00 -0.140890D+00  0.172479D+01  0.199982D+02
      3  -0.252686D+01 -0.237804D+01 -0.176087D+01 -0.288800D+01 -0.720482D+01
      4   0.757248D+01  0.100495D+02  0.276603D+01  0.103488D+02  0.290279D+02
      5   0.298301D+01  0.276168D+01  0.666908D+01  0.332239D+01  0.788353D+01
      6   0.404811D+01  0.174180D+01  0.119359D+01  0.281118D+01  0.158344D+02
                96            97            98            99           100 
      1  -0.496135D+01  0.581510D+00 -0.638810D+01 -0.509083D+01  0.356420D+01
      2   0.640192D+01  0.635333D+00  0.525730D+01  0.129867D+01 -0.237789D+01
      3  -0.144057D+01 -0.121684D+01  0.113080D+01  0.379216D+01 -0.118630D+01
      4   0.887897D+01  0.319037D+01  0.121000D+02  0.884239D+01 -0.879644D+00
      5   0.894416D+01  0.783595D+01  0.806901D+01  0.768010D+01 -0.223474D+01
      6   0.100843D+02  0.320505D+01  0.119803D+02  0.917947D+01  0.196149D+01
               101           102           103           104           105 
      1  -0.172667D+01 -0.507078D+01 -0.529166D+01 -0.767866D+01 -0.593438D+01
      2   0.744547D+00  0.300348D+00  0.396798D+01  0.612712D-01 -0.658349D+01
      3   0.982124D+00  0.477043D+01  0.132369D+01  0.761739D+01  0.125179D+02
      4  -0.196867D+00  0.446777D+00  0.200111D+01 -0.155423D+02 -0.106940D+02
      5   0.172471D+01 -0.388352D-01  0.757891D+01 -0.890135D+01 -0.150876D+02
      6   0.158958D+01 -0.396116D-02 -0.253541D+00  0.117433D+02  0.976559D+01
               106           107           108           109           110 
      1  -0.363362D+01 -0.395208D+01 -0.105543D+02 -0.140870D+01  0.941202D+01
      2   0.255012D+01 -0.495851D+01 -0.700895D+01  0.184769D+01 -0.646119D+01
      3   0.108351D+01  0.891059D+01  0.175633D+02 -0.438994D+00 -0.295083D+01
      4   0.125956D+01 -0.913900D+01 -0.820599D+01  0.166178D+01 -0.236732D+01
      5   0.426494D+01 -0.696811D+01 -0.137312D+02  0.491695D+00 -0.262702D+00
      6  -0.789834D+00  0.888421D+01  0.743922D+01 -0.360629D+01  0.627225D+01
               111           112           113           114           115 
      1  -0.783739D+01  0.918599D+01 -0.192777D+02  0.122351D+02 -0.391157D+01
      2   0.184991D+01 -0.546537D+01  0.166555D+02 -0.523049D+01  0.734962D+00
      3   0.598748D+01 -0.372062D+01  0.262219D+01 -0.700457D+01  0.317661D+01
      4   0.144944D+01  0.273123D+01  0.155780D+02 -0.100864D+02 -0.111594D+00
      5  -0.246920D+01 -0.436261D+01 -0.745047D+01  0.779285D+01  0.167509D+01
      6  -0.540684D+01  0.183347D+01 -0.180375D+02  0.145156D+02 -0.222268D+01
               116           117           118           119           120 
      1   0.976915D+01 -0.135451D+02  0.811710D+02  0.101874D+02 -0.562775D+01
      2  -0.380872D+01  0.180883D+01 -0.406443D+02 -0.322294D+01  0.659316D+01
      3  -0.596043D+01  0.117363D+02 -0.405267D+02 -0.696445D+01 -0.965409D+00
      4  -0.733411D+01  0.507107D+01  0.244912D+02  0.140275D+02 -0.322010D+01
      5   0.441273D+01 -0.671117D+01 -0.286414D+02 -0.474363D+01  0.149904D+02
      6   0.125190D+02 -0.110524D+02 -0.491235D+01 -0.347051D+01  0.289861D+01
               121           122           123           124           125 
      1   0.944989D+01  0.572579D+01  0.257799D+00  0.419162D+01  0.777193D+00
      2  -0.264863D+01 -0.174463D+01 -0.469114D+00  0.361089D+00 -0.355267D+00
      3  -0.680126D+01 -0.398116D+01  0.211315D+00 -0.455271D+01 -0.421926D+00
      4   0.145268D+02  0.679596D+01 -0.313598D+01  0.146649D+01 -0.338371D+00
      5  -0.364890D+01 -0.422322D+01  0.182616D+01  0.819566D+01  0.526718D+00
      6  -0.277662D+01 -0.201644D+01  0.322613D+01  0.160530D+01  0.203105D+01
               126           127           128           129           130 
      1   0.492022D+01 -0.527880D+01 -0.845197D+01 -0.288909D+01 -0.742366D+01
      2  -0.333808D+01  0.628195D+01  0.989417D+01  0.202736D+01  0.887004D+01
      3  -0.158213D+01 -0.100315D+01 -0.144220D+01  0.861731D+00 -0.144638D+01
      4   0.127420D+01  0.346129D+01  0.675483D+01  0.144652D+01  0.512416D+01
      5  -0.931381D+00  0.111430D+01  0.129292D+01  0.156528D+01  0.113138D+01
      6   0.297142D-01  0.255460D+01  0.385312D+01  0.268826D+01  0.314841D+01
               131           132           133           134           135 
      1  -0.308675D+02 -0.878676D+01 -0.213808D+01 -0.841302D+01 -0.337488D+01
      2   0.396372D+02  0.777707D+01  0.245153D+01  0.975036D+01  0.333231D+01
      3  -0.876975D+01  0.100969D+01 -0.313440D+00 -0.133734D+01  0.425700D-01
      4  -0.746350D+00 -0.668908D+00  0.137513D+01 -0.176286D+00  0.141034D+01
      5  -0.676552D+00 -0.256792D+00  0.108665D+01  0.607087D+00  0.677279D+00
      6   0.133886D+02  0.921765D+01  0.113103D+01  0.499419D+01  0.375889D+01
               136           137           138           139           140 
      1   0.209670D+02 -0.130011D+02 -0.273050D+01 -0.877464D+01  0.290374D+01
      2  -0.386568D+01 -0.116238D+01  0.102931D+01 -0.593245D+01  0.162565D+02
      3  -0.171014D+02  0.141635D+02  0.170119D+01  0.147071D+02 -0.191603D+02
      4  -0.318595D+02  0.291560D+02  0.458931D+01  0.324349D+02 -0.423934D+02
      5  -0.673658D+01  0.474485D+01  0.647845D+01  0.707659D+01 -0.816800D+01
      6   0.258120D+01 -0.228492D+01 -0.334706D+01 -0.444845D+01  0.613848D+01
               141           142           143           144           145 
      1   0.848142D+00 -0.113451D+01  0.127038D+00 -0.336847D+00  0.969936D+02
      2   0.861541D+00 -0.117671D+01  0.283466D+01  0.988727D+00 -0.544158D+02
      3  -0.170968D+01  0.231122D+01 -0.296170D+01 -0.651880D+00 -0.425778D+02
      4  -0.773222D+01  0.626939D+01 -0.809249D+01 -0.330408D+01  0.126714D+02
      5  -0.668332D+01  0.261941D+01 -0.277961D+01 -0.186440D+01  0.928774D+01
      6   0.623098D+01 -0.198780D+01  0.304749D+01  0.213845D+01 -0.218212D+01
               146           147           148           149           150 
      1   0.815557D+01  0.611052D+01  0.688601D+01  0.932466D+01  0.194023D+01
      2  -0.395294D+01 -0.416416D+01 -0.301035D+01 -0.426364D+01 -0.156061D+01
      3  -0.420264D+01 -0.194636D+01 -0.387566D+01 -0.506102D+01 -0.379623D+00
      4   0.961547D+01  0.453812D+00  0.151005D+02  0.405294D+01  0.134821D+01
      5   0.410508D+00  0.109524D+02  0.367255D+01  0.146761D+01  0.148608D+01
      6   0.247639D+00  0.577202D+00  0.785390D+00 -0.174504D+00  0.148706D+01
               151           152           153           154           155 
      1   0.771361D+01  0.221547D+01  0.341203D+01  0.536129D+01  0.441588D+01
      2  -0.432890D+01 -0.125764D+01 -0.232572D+01  0.292120D+01  0.490360D+01
      3  -0.338471D+01 -0.957834D+00 -0.108631D+01 -0.828248D+01 -0.931948D+01
      4   0.407344D+01  0.154402D+01  0.840679D+00  0.182526D+02  0.223459D+02
      5   0.358103D+01  0.563648D+00  0.154934D+01  0.472849D+01  0.525919D+01
      6   0.171275D+00  0.723210D+00  0.393616D+00  0.350688D+01  0.403710D+01
               156           157           158           159           160 
      1   0.104681D+01 -0.731992D+00 -0.151192D+02 -0.376385D+01  0.142377D+00
      2   0.259493D+00  0.105516D+02  0.351125D+02  0.546884D+01  0.206636D+01
      3  -0.130630D+01 -0.981962D+01 -0.199933D+02 -0.170498D+01 -0.220873D+01
      4   0.537168D+01  0.234842D+02  0.445549D+02  0.102399D+02  0.630207D+01
      5   0.501483D+01  0.572248D+01  0.993615D+01  0.695203D+01  0.239343D+01
      6   0.315394D+01  0.561884D+01  0.133426D+02  0.954897D+01  0.238063D+01
               161           162           163           164           165 
      1  -0.327082D+01 -0.235999D+01 -0.291457D+01  0.713224D+01  0.179591D+01
      2   0.734650D+01  0.283563D+01  0.437375D+01 -0.991023D+01 -0.165714D+01
      3  -0.407568D+01 -0.475634D+00 -0.145919D+01  0.277800D+01 -0.138775D+00
      4   0.115005D+02  0.407600D+01 -0.908632D+01  0.756201D+01  0.710041D+00
      5   0.340283D+01  0.272663D+01  0.959491D+00  0.109467D+01  0.222482D+01
      6   0.558499D+01  0.386181D+01  0.245779D+00 -0.181564D+01 -0.283687D+01
               166           167           168           169           170 
      1   0.834005D+01 -0.196401D+02 -0.359251D+01  0.226467D+01 -0.353724D+01
      2  -0.107784D+02  0.261716D+02  0.284354D+01 -0.279407D+01  0.430752D+01
      3   0.243839D+01 -0.653150D+01  0.748968D+00  0.529394D+00 -0.770276D+00
      4   0.727875D+01 -0.793250D+01 -0.101398D+01  0.889087D+00 -0.129385D+01
      5   0.148607D+01 -0.112841D+01 -0.109825D+01  0.176025D+01 -0.755383D+00
      6  -0.270206D+01  0.506634D+01  0.519517D+01 -0.129475D+01  0.237843D+01
               171           172           173           174           175 
      1  -0.599939D+00 -0.299236D+01 -0.245923D+01  0.939057D+01 -0.962423D+00
      2   0.126242D+01 -0.482154D+00  0.292378D+00  0.548178D+00  0.346495D+00
      3  -0.662477D+00  0.347451D+01  0.216685D+01 -0.993875D+01  0.615928D+00
      4  -0.212103D+01  0.280702D+00 -0.172779D+01 -0.877825D-01  0.221652D+01
      5  -0.900908D+00  0.175351D+01  0.112906D+01 -0.397227D+01 -0.498640D+00
      6   0.136995D+01 -0.110047D+01 -0.172539D+01  0.380291D+01 -0.231387D-01
               176           177           178           179           180 
      1  -0.361530D+01  0.467052D+01  0.782352D+01  0.648682D+01 -0.228764D+02
      2   0.148348D+01  0.749209D+00 -0.366666D+01  0.129562D+01 -0.104698D+02
      3   0.213182D+01 -0.541973D+01 -0.415687D+01 -0.778243D+01  0.333462D+02
      4  -0.480588D+01  0.228276D+01 -0.304641D+01  0.396984D+01 -0.723671D+01
      5   0.253303D+01 -0.802460D+01  0.619444D+01 -0.908686D+01  0.295482D+02
      6  -0.320221D+01  0.777334D+01  0.255291D+00  0.766753D+01 -0.154758D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.501813D+00      0.127548D+01      0.425455D+01
   x         -0.281616D+00     -0.715797D+00     -0.238764D+01
   y         -0.309910D+00     -0.787713D+00     -0.262753D+01
   z         -0.276521D+00     -0.702847D+00     -0.234445D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993955D+02      0.147289D+02      0.163881D+02
   aniso      0.487170D+02      0.721911D+01      0.803234D+01
   xx         0.126371D+03      0.187263D+02      0.208358D+02
   yx         0.402625D+00      0.596629D-01      0.663839D-01
   yy         0.100540D+03      0.148985D+02      0.165768D+02
   zx         0.105230D+01      0.155934D+00      0.173500D+00
   zy         0.547514D+01      0.811332D+00      0.902728D+00
   zz         0.712755D+02      0.105619D+02      0.117517D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104843D+03      0.155361D+02      0.172862D+02
   aniso      0.490746D+02      0.727211D+01      0.809131D+01
   xx         0.131973D+03      0.195564D+02      0.217594D+02
   yx         0.235858D+00      0.349506D-01      0.388878D-01
   yy         0.105961D+03      0.157018D+02      0.174706D+02
   zx         0.122457D+01      0.181462D+00      0.201904D+00
   zy         0.579442D+01      0.858644D+00      0.955370D+00
   zz         0.765941D+02      0.113501D+02      0.126287D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.79743201         -0.66319326         -3.68063204
     6         -0.06957318         -1.16592580         -1.90546131
     6          0.00085436         -0.02782729          0.47048632
     6          1.98025051          1.61507087          1.02844964
     6          3.84809531          2.12727537         -0.74599001
     6          3.76079408          0.98799709         -3.10985099
     6         -2.07648581         -0.48288379          2.38707606
     7         -2.88154853         -3.13309871          2.32361648
     6         -4.36773455          1.19509392          1.84617470
     1         -4.28360296         -3.43799186          3.59120548
     1         -1.32070315          0.06463380          4.24415736
     1         -5.15308018          0.74474300         -0.00557251
     1         -3.83379570          3.18485701          1.87046587
     1         -5.83731753          0.90308897          3.26829073
     1          2.06207774          2.49797152          2.87523312
     1          5.37539950          3.40560907         -0.27783445
     1          5.21640434          1.37545879         -4.49381304
     1          1.72110966         -1.56341910         -5.51666398
     1         -1.59074908         -2.46191844         -2.33501284
     1         -1.42670246         -4.29498573          2.77272661

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.501813D+00      0.127548D+01      0.425455D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.501813D+00      0.127548D+01      0.425455D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993955D+02      0.147289D+02      0.163881D+02
   aniso      0.487170D+02      0.721911D+01      0.803234D+01
   xx         0.108018D+03      0.160066D+02      0.178098D+02
   yx         0.164280D+02      0.243438D+01      0.270861D+01
   yy         0.857230D+02      0.127028D+02      0.141338D+02
   zx        -0.183095D+02     -0.271318D+01     -0.301883D+01
   zy         0.652719D+01      0.967230D+00      0.107619D+01
   zz         0.104446D+03      0.154772D+02      0.172207D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104843D+03      0.155361D+02      0.172862D+02
   aniso      0.490746D+02      0.727211D+01      0.809131D+01
   xx         0.113507D+03      0.168200D+02      0.187147D+02
   yx         0.167585D+02      0.248335D+01      0.276310D+01
   yy         0.909204D+02      0.134730D+02      0.149907D+02
   zx        -0.182322D+02     -0.270173D+01     -0.300608D+01
   zy         0.642187D+01      0.951623D+00      0.105882D+01
   zz         0.110101D+03      0.163152D+02      0.181531D+02

 ----------------------------------------------------------------------
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 Sacred cows make the best hamburger.
                               -- Mark Twain
 Job cpu time:       0 days  3 hours  6 minutes 14.6 seconds.
 Elapsed time:       0 days  0 hours 23 minutes 18.8 seconds.
 File lengths (MBytes):  RWF=    264 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 11:10:28 2021.
